SCHEMBL303465

SCHEMBL303465

[c]1nnccc1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.44
ADRB2 P07550 2/20 0.44
NCF1 P14598 2/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BPTF Q12830 1/20 0.40
HTR3E A5X5Y0 3/20 0.39
HTR3B O95264 3/20 0.39
HTR3A P46098 3/20 0.39
HTR3D Q70Z44 3/20 0.39
HTR3C Q8WXA8 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ADRB1 P08588 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 1/20 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
SCHEMBL526372 0.74 PLD1 (0.44) PLD1ADRB2NCF1ALDH1A1KDM4E
SCHEMBL17595113 0.70 PLD1 (0.53) PLD1ADRB2NCF1ALDH1A1KDM4E
SCHEMBL4677595 0.65 ADRB1 (0.41) PLD1ADRB2NCF1HTR3EHTR3B
SCHEMBL194631 0.65 PLD1 (0.62) PLD1ADRB2NCF1HTR3EHTR3B
SCHEMBL8010836 0.65 HRH4 (0.40) PLD1ADRB2NCF1ALDH1A1KDM4E
SCHEMBL15416277 0.64 PLD1 (0.39) PLD1ADRB2NCF1ALDH1A1KDM4E
SCHEMBL15416096 0.64 ADRB1 (0.49) PLD1ADRB2NCF1ALDH1A1BPTF
SCHEMBL2439624 0.64 BPTF (0.53) PLD1ADRB2NCF1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20424251 0.64 PLD1 (0.60) PLD1ADRB2NCF1ALDH1A1KDM4E
Water SCHEMBL27506673 0.63 BPTF (0.51) PLD1ADRB2NCF1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US claimed
CN-106132956-B Heterocyclic compound, preparation method and application thereof 中国科学院上海药物研究所 2019-12-10 CN disclosed
EP-3149008-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2017-04-05 EP disclosed
WO-2015180642-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-03 WO disclosed
US-8093238-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-01-10 US disclosed
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 US disclosed
EP-2076512-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-07-08 EP disclosed
WO-2008044022-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-17 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 (1 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-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors JAK1, MTOR, MOK PLD1 2547/4885ADRB2 3652/4885NCF1 2235/4885

“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.