SCHEMBL1862

SCHEMBL1862

CN(C)/C=C/C(=O)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 1.00
RECQL P46063 2/20 0.67
MAPT P10636 10/20 0.62
RAB9A P51151 5/20 0.62
LMNA P02545 5/20 0.62
CYP1A2 P05177 3/20 0.62
HPGD P15428 3/20 0.62
CYP2C19 P33261 2/20 0.62
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 9/20 0.59
GAA P10253 4/20 0.56
NPC1 O15118 3/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP1A1 P04798 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49

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
SCHEMBL1863 1.00 HTT (1.00) HTTRECQLMAPTRAB9ALMNA
SCHEMBL7221012 1.00 HTT (1.00) HTTRECQLMAPTRAB9ALMNA
SCHEMBL23251385 0.86 MAPT (0.81) HTTRECQLMAPTRAB9ALMNA
SCHEMBL6997673 0.81 HTT (0.67) HTTMAPTLMNACYP1A2HPGD
SCHEMBL6997670 0.81 HTT (0.67) HTTMAPTLMNACYP1A2HPGD
SCHEMBL4269488 0.80 HTT (0.67) HTTRECQLMAPTRAB9ALMNA
SCHEMBL4269491 0.80 HTT (0.67) HTTRECQLMAPTRAB9ALMNA
SCHEMBL425338 0.80 RECQL (1.00) HTTRECQLMAPTRAB9ALMNA
SCHEMBL29176317 0.80 RECQL (1.00) HTTRECQLMAPTRAB9ALMNA
SCHEMBL446006 0.80 RECQL (1.00) HTTRECQLMAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2020-10-06 US disclosed
EP-0150205-A1 AD(PYRIDINYL)-2-PYRIMIDINYL BDUREAS USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-08-07 EP disclosed
EP-0150206-A1 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-08-07 EP disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
US-4512993-A 4(Or 5)-(pyridinyl)-2-pyrimidinamines and cardiotonic use thereof STERLING DRUG INC. (US) 1985-04-23 US disclosed
US-4504482-A [5(or 4)-(Pyridinyl)-2-pyrimidinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1985-03-12 US disclosed
WO-1985000604-A1 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-02-14 WO disclosed
WO-1985000603-A1 AD(PYRIDINYL)-2-PYRIMIDINYL BDUREAS USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-02-14 WO disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed
US-4281000-A Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0025819-A1 Substituted pyrazolo (1,5-a) pyrimidines, and their preparation AMERICAN CYANAMID COMPANY (US) 1981-04-01 EP 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 HTT 2293/4885RECQL 2746/4885MAPT 4809/4885
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 HTT 3993/4885RECQL 1319/4885MAPT 2439/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 HTT 4269/4885RECQL 2316/4885MAPT 4854/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 HTT 3993/4885RECQL 1319/4885MAPT 2439/4885
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 HTT 4269/4885RECQL 2316/4885MAPT 4854/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 HTT 3993/4885RECQL 1319/4885MAPT 2439/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 HTT 3639/4885RECQL 1253/4885MAPT 2276/4885

“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.