SCHEMBL972964

SCHEMBL972964

Cn1cncc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.73
PCSK9 Q8NBP7 2/20 0.67
LDLR P01130 1/20 0.67
IDO1 P14902 5/20 0.62
CYP11B1 P15538 6/20 0.52
CYP11B2 P19099 6/20 0.52
BRD9 Q9H8M2 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
NSD3 Q9BZ95 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
Dimethylamine SCHEMBL1133104 0.94 HPGDS (0.67) HPGDSPCSK9LDLRIDO1CYP11B1
SCHEMBL21128683 0.87 IDO1 (0.68) HPGDSPCSK9LDLRIDO1CYP11B1
SCHEMBL2315186 0.85 HPGDS (1.00) HPGDSPCSK9LDLRIDO1CYP11B1
SCHEMBL31627317 0.82 CYP2A6 (0.62) HPGDSPCSK9LDLRIDO1CYP1A2
SCHEMBL1133225 0.82 CYP2A6 (0.62) HPGDSPCSK9LDLRIDO1CYP1A2
SCHEMBL1502339 0.81 IDO1 (0.51) HPGDSPCSK9LDLRIDO1CYP11B1
SCHEMBL24185698 0.79 IDO1 (0.50) HPGDSPCSK9LDLRIDO1
SCHEMBL10985317 0.79 IDO1 (0.53) HPGDSPCSK9LDLRIDO1
SCHEMBL5779888 0.79 IDO1 (0.50) HPGDSPCSK9LDLRIDO1CYP3A4
Ammonia Solution, Strong SCHEMBL28862527 0.79 IDO1 (0.50) HPGDSPCSK9LDLRIDO1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276767-B Sweat-resistant knitted fabric and preparation method thereof 广东兆天纺织科技有限公司 2023-11-14 CN claimed
CN-114276767-A Sweat-resistant knitted fabric and preparation method thereof 广东兆天纺织科技有限公司 2022-04-05 CN claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2026047630-A1 HETEROCYCLIC COMPOUNDS AS EGFR INHIBITORS HETERO LABS LIMITED (IN) 2026-03-05 WO disclosed
EP-4584259-A1 CK1ALPHA AND DUAL CK1ALPHA / GSPT1 DEGRADING COMPOUNDS Innovo Therapeutics, Inc. (US) 2025-07-16 EP disclosed
WO-2025128834-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
US-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-06-20 US disclosed
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024054832-A1 CK1α AND DUAL CK1α / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
US-11926625-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2024-03-12 US disclosed
EP-4301756-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-01-10 EP disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed
CN-1014710-B PROCESS FOR 6-BETA (SUBSTRATED)-SHYDROXYMETHYL-PENICILLANIC ACID AND ITS DERIVATIVES PFIZER (US) 1991-11-13 CN disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
CN-88100588-A The preparation method of 6-β (replacement)-(S)-methylol-penicillanic acid and their derivative 1988-08-10 CN disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed
EP-0007672-A1 Isocyanoalkenes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture GIST-BROCADES N.V. (NL) 1980-02-06 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 (4 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-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HPGDS 174/4885PCSK9 314/4885LDLR 1265/4885
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS CKS1B, CKS2, MARK1 HPGDS 1062/4885PCSK9 991/4885LDLR 4268/4885
US-11926625-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 HPGDS 174/4885PCSK9 314/4885LDLR 1265/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HPGDS 972/4885PCSK9 4000/4885LDLR 4457/4885

“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.