SCHEMBL3474476

SCHEMBL3474476

O=c1nccc2[nH]cccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
KDR P35968 1/20 0.45
KDM4C Q9H3R0 1/20 0.40
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK2 P24941 2/20 0.33
NPC1 O15118 1/20 0.33
GBA1 P04062 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33

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
Hydrochloric Acid SCHEMBL30685515 0.96 AURKA (0.42) AURKAKDRKDM4CADRA1DADRA1A
SCHEMBL24922603 0.72 NPC1 (0.44) AURKAKDRKDM4CCDK5CDK5R1
SCHEMBL7365394 0.71 KDR (0.37) AURKAKDRKDM4CCDK5MEN1
SCHEMBL1298623 0.71 IDO1 (0.39) POLB
SCHEMBL17850816 0.70
SCHEMBL1551082 0.68 AURKA (0.53) AURKAKDRADRA1DADRA1AADRA1B
SCHEMBL7105096 0.68 CSNK1A1 (0.45) AURKAKDRKDM4CADRA1AMEN1
SCHEMBL15416821 0.68 KDR (0.47) AURKAKDRKDM4CADRA1DADRA1A
Hydrochloric Acid SCHEMBL4436439 0.67 AURKA (0.51) AURKAKDRADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4430517 0.67 AURKA (0.51) AURKAKDRADRA1DADRA1AADRA1B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
US-11512095-B2 BCL6 inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-29 US disclosed
WO-2021080359-A1 BICYCLIC COMPOUND AND USE THEREOF 에스케이바이오팜 주식회사 2021-04-29 WO disclosed
US-8193430-B2 Methods for separating carbon nanotubes THE UNIVERSITY OF CONNECTICUT (US) 2012-06-05 US disclosed
US-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES UNIVERSITY OF CONNECTICUT (US) 2010-02-25 US disclosed
US-20090191552-A1 Novel Human Acidic Mammalian Chitinase and Use Thereof MERCK SHARP & DOHME CORP. 2009-07-30 US disclosed
EP-2038409-A2 NOVEL HUMAN ACIDIC MAMMALIAN CHITINASE AND USE THEREOF Merck & Co., Inc. (US) 2009-03-25 EP disclosed
WO-2008002548-A2 NOVEL HUMAN ACIDIC MAMMALIAN CHITINASE AND USE THEREOF MERCK & CO., INC. (US) 2008-01-03 WO disclosed
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 WO 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 (3 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-20100044230-A1 METHODS FOR SEPARATING CARBON NANOTUBES FSCN1, TTPA, FLNB AURKA 3808/4885KDR 3055/4885KDM4C 3923/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 AURKA 289/4885KDR 2548/4885KDM4C 1789/4885
US-11512095-B2 BCL6 inhibitors BCL6, BCL6B, BCL3 AURKA 2537/4885KDR 4193/4885KDM4C 512/4885

“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.