SCHEMBL7572191

SCHEMBL7572191

Nc1cc(Cl)c2cn[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.50
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
ROCK2 O75116 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK1 Q13464 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
METAP2 P50579 3/20 0.41
CHEK1 O14757 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL14487466 0.79 METAP2 (0.56) NOS1IDO1TDO2HTTMETAP2
SCHEMBL31162446 0.76 IDO1 (0.47) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL31217417 0.76 IDO1 (0.56) NOS1IDO1TDO2KDM4EMEN1
SCHEMBL29410369 0.76 IDO1 (0.61) NOS1IDO1TDO2METAP2DYRK1A
SCHEMBL18062618 0.76 IDO1 (0.47) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL31190826 0.76 METAP2 (0.53) NOS1IDO1TDO2METAP2DYRK1A
SCHEMBL2919009 0.76 IDO1 (0.47) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL30860937 0.76 IDO1 (0.47) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL16618130 0.76 IDO1 (0.61) NOS1IDO1TDO2METAP2DYRK1A
SCHEMBL16834287 0.76 IDO1 (0.56) NOS1IDO1TDO2KDM4EMEN1

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
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
EP-3049390-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
CN-105745192-A Substituted phenylalanine derivatives 拜耳制药股份公司 2016-07-06 CN disclosed
WO-2015044163-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US 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 (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-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT NOS1 551/4885IDO1 185/4885TDO2 100/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 NOS1 1230/4885IDO1 1123/4885TDO2 2970/4885

“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.