SCHEMBL437747

SCHEMBL437747

Cc1ccccc1N=C=Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 2/20 0.45
CYP2C9 P11712 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SIGMAR1 Q99720 5/20 0.39
TRPA1 O75762 1/20 0.39
KMT2A Q03164 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38

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
SCHEMBL29516244 1.00 TSHR (0.47) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL2047233 0.93 TSHR (0.47) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL508210 0.91 MIF (0.43) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL8401752 0.91 MIF (0.43) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL9136636 0.88 TSHR (0.43) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL28416749 0.87 TSHR (0.40) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL287022 0.87 TSHR (0.43) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL28273815 0.86 TSHR (0.42) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL25895341 0.83 TSHR (0.40) TSHRCYP3A4TP53MAPK1SMN1; SMN2
SCHEMBL30305073 0.82 ALDH1A1 (0.38) TSHRCYP3A4TP53MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026055875-A9 ONE-COMPONENT (1K) HEAT-ACTIVATABLE WATERBORNE POLYURETHANE ADHESIVE AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2026-05-15 WO claimed
US-20260066464-A1 BATTERY SUBSTRATE FOR SEPARATING POSITIVE ELECTRODE AND NEGATIVE ELECTRODE FROM EACH OTHER IN RECHARGEABLE BATTERY, AND RECHARGEABLE BATTERY COMPRISING SAME SAMSUNG SDI CO LTD (KR) 2026-03-05 US claimed
CN-117645638-A Fullerene derivative, and preparation method and application thereof 中国科学院化学研究所 2024-03-05 CN claimed
US-20230192725-A1 NOVEL ORGANO-MAGNESIUM COMPOUNDS AND THEIR USE LANXESS ORGANOMETALLICS GMBH (DE) 2023-06-22 US claimed
EP-4153602-A1 NOVEL ORGANO-MAGNESIUM COMPOUNDS AND THEIR USE LANXESS Organometallics GmbH (DE) 2023-03-29 EP claimed
CN-110511188-B Preparation method of 2-imino dihydro quinazolinone compound 烟台大学 2022-09-20 CN claimed
US-11292890-B2 Curable resin composition and sealing material using same NIPPON SHOKUBAI CO., LTD. (JP) 2022-04-05 US claimed
WO-2021233930-A1 NOVEL ORGANO-MAGNESIUM COMPOUNDS AND THEIR USE LANXESS ORGANOMETALLICS GMBH (DE) 2021-11-25 WO claimed
WO-2021079380-A1 IMPROVED PROCESS FOR THE PREPARATION OF (2S)-N-{(1S)-1-(2-CHLOROPHENYL)-2-[(3,3-DIFLUOROCYCLOBUTYL)-AMINO]-2-OXOETHYL}-1-(4-CYANOPYRIDIN-2-YL)-N-(5-FLUOROPYRIDIN-3-YL)-5-OXOPYRROLIDINE-2-CARBOXAMIDE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2021-04-29 WO claimed
WO-2020133337-A1 THERMOSETTING RESIN COMPOSITION, AND PREPREG, LAMINATED BOARD AND HIGH FREQUENCY CIRCUIT SUBSTRATE WHICH CONTAIN SAME 广东生益科技股份有限公司 2020-07-02 WO claimed
WO-2012048271-A1 PHOSPHORAMIDATE DERIVATIZATION OF INORGANIC POLYPHOSPHATES AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-04-12 WO claimed
US-20120064453-A1 PROCESSES FOR PRODUCING POLYESTER LATEXES WITH IMPROVED HYDROLYTIC STABILITY XEROX CORPORATION (US) 2012-03-15 US claimed
US-6846901-B1 Liquid initiator for accelerating the progress of the anionic lactam polymerization, method for producing the same and the use thereof EMS-CHEMIE AG (CH) 2005-01-25 US claimed
EP-1242507-B1 LIQUID INITIATOR FOR ACCELERATING THE PROGRESS OF THE ANIONIC LACTAM POLYMERIZATION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF EMS CHEMIE AG (CH) 2003-10-29 EP claimed
EP-1242507-A1 LIQUID INITIATOR FOR ACCELERATING THE PROGRESS OF THE ANIONIC LACTAM POLYMERIZATION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF EMS-Chemie AG (CH) 2002-09-25 EP claimed
WO-2001046292-A1 LIQUID INITIATOR FOR ACCELERATING THE PROGRESS OF THE ANIONIC LACTAM POLYMERIZATION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF EMS-CHEMIE AG (CH) 2001-06-28 WO claimed
EP-0872508-B1 Process for preparing a storage stable liquid system for the anionic lactam polymerisetion INVENTA AG (CH) 2000-08-16 EP claimed
US-6013758-A FORMING LACTAMATE SALT WITH STRONG BASE REACTED WITH DISSOLVED LACTAM, THEN REACTING RESULTING LACTAMATE WITH ACTIVATOR, COOLING LIQUID, STORAGE STABLE REACTION PRODUCT; SIMPLIFICATION EMS-INVENTA AG (CH) 2000-01-11 US claimed
EP-0872508-A1 Process for preparing a storage stable liquid system for the anionic lactam polymerisetion EMS-INVENTA AG (CH) 1998-10-21 EP claimed
US-4075150-A COMPOSITION FOR CURING POLYURETHANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-02-21 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230192725-A1 NOVEL ORGANO-MAGNESIUM COMPOUNDS AND THEIR USE DDO, MGAM2, MGAM TSHR 4363/4885CYP3A4 1242/4885TP53 3163/4885
US-20260066464-A1 BATTERY SUBSTRATE FOR SEPARATING POSITIVE ELECTRODE AND NEGATIVE ELECTRODE FROM EACH OTHER IN RECHARGEABLE BATTERY, AND RECHARGEABLE BATTERY COMPRISING SAME HSPB1, HSPA1B, HSPBP1 TSHR 2251/4885CYP3A4 4184/4885TP53 2842/4885

“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.