SCHEMBL998558

SCHEMBL998558

c1ccc(-c2cncnc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.67
KDM4E B2RXH2 6/20 0.56
LMNA P02545 3/20 0.56
CCR1 P32246 2/20 0.56
CCR5 P51681 2/20 0.56
CCR8 P51685 2/20 0.56
METAP1 P53582 2/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
DOHH Q9BU89 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
ATM Q13315 2/20 0.50
NPC1 O15118 6/20 0.48
TP53 P04637 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30338847 1.00 CYP2A6 (0.67) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL24492857 0.83 CYP2A6 (0.58) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL9975012 0.83 CYP2A6 (0.53) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL24493076 0.83 CYP2A6 (0.58) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL22428515 0.83 CYP2A6 (0.58) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL2462770 0.82 CYP2A6 (0.67) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL9974933 0.82 CYP2A6 (0.51) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL12131379 0.81 CCR1 (0.55) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL16383308 0.81 CYP2A6 (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL24492848 0.80 ATM (0.55) CYP2A6KDM4ELMNACCR1CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289818-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2025-09-18 US disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2023-03-02 US disclosed
US-10930853-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 US disclosed
WO-2019164778-A1 PROCESS FOR PREPARING 1-ARYLSULFONYL-PYRROLIDINE-2-CARBOXAMIDE TRANSIENT RECEPTOR POTENTIAL CHANNEL ANTAGONIST COMPOUNDS AND CRYSTALLINE FORMS THEREOF GENENTECH, INC. (US) 2019-08-29 WO disclosed
EP-3466932-A1 PRODUCTION METHOD FOR BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kobelco Eco-Solutions Co., Ltd (JP) 2019-04-10 EP disclosed
US-10236454-B2 Luminescent complexes and display devices UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2019-03-19 US disclosed
US-10186666-B2 Condensed-cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-22 US disclosed
WO-2019014460-A1 EAAT2 ENHANCING MOLECULES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2019-01-17 WO disclosed
US-9728805-B2 Nonaqueous electrolyte and lithium secondary battery using the same LG CHEM, LTD. (KR) 2017-08-08 US disclosed
EP-2541663-B1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG CHEMICAL LTD (KR) 2017-01-18 EP disclosed
US-9120783-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-09-01 US disclosed
US-9029559-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-05-12 US disclosed
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-07-10 US disclosed
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-15 US disclosed
CN-103328468-A Alpha-7 nicotinic receptor modulators for the treatment of pain, a psychotic disorder, cognitive impairment or alzheimer's disease PROXIMAGEN LTD 2013-09-25 CN disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 US disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10236454-B2 Luminescent complexes and display devices PAICS, ILK, NOD2 CYP2A6 4256/4885KDM4E 3060/4885LMNA 2172/4885
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV CYP2A6 363/4885KDM4E 3014/4885LMNA 473/4885
US-20250289818-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER SLC10A1, SLC6A6, SLC10A6 CYP2A6 249/4885KDM4E 3514/4885LMNA 2303/4885
US-10186666-B2 Condensed-cyclic compound and organic light emitting device including the same CRY1, CRY2, CCNE2 CYP2A6 2249/4885KDM4E 3752/4885LMNA 1208/4885
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV CYP2A6 363/4885KDM4E 3014/4885LMNA 473/4885
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER SLC10A1, SLC6A6, SLC10A6 CYP2A6 202/4885KDM4E 3358/4885LMNA 2294/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP2A6 548/4885KDM4E 701/4885LMNA 99/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.