SCHEMBL4064736

SCHEMBL4064736

CCN(C)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PYCR1 P32322 1/20 0.39
CYP3A4 P08684 1/20 0.38
RIPK1 Q13546 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL27841713 0.84 HTR7 (0.49) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL7896008 0.81 ALDH1A1 (0.59) TAAR1ALDH1A1MAPK1MTNR1AMTNR1B
SCHEMBL15008733 0.80 TAAR1 (0.55) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL3818736 0.79 ALDH1A1 (0.41) TAAR1ALDH1A1MAPK1MTNR1AMTNR1B
SCHEMBL5287657 0.78 ADRA2A (0.35) ALDH1A1
SCHEMBL30470959 0.78 ALDH1A1 (0.54) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL21594681 0.78 ALDH1A1 (0.48) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL44853 0.78 ALDH1A1 (0.54) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL7223872 0.77 PYCR1 (0.42) HTR7TAAR1ALDH1A1MAPK1MTNR1A
SCHEMBL20853609 0.77 HTT (0.48) HTR7TAAR1ALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 EP disclosed
CN-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 CN disclosed
US-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 US disclosed
US-10934301-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-03-02 US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 US disclosed
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-07-30 US disclosed
US-10604525-B2 Pyrazolopyrimidine derivatives BAYAL ANIMAL HEALTH GMBH (DE) 2020-03-31 US disclosed
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-03-07 US disclosed
EP-3442974-A1 PYRAZOLOPYRIMIDINE DERIVATIVES Bayer Animal Health GmbH (DE) 2019-02-20 EP disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
WO-2017178416-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2017-10-19 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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 (7 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-10604525-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 HTR7 3170/4885TAAR1 3813/4885ALDH1A1 1297/4885
US-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 HTR7 3160/4885TAAR1 3835/4885ALDH1A1 1228/4885
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 HTR7 3170/4885TAAR1 3813/4885ALDH1A1 1297/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 HTR7 3160/4885TAAR1 3835/4885ALDH1A1 1228/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 HTR7 3160/4885TAAR1 3835/4885ALDH1A1 1228/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 HTR7 3546/4885TAAR1 3853/4885ALDH1A1 1241/4885
US-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 HTR7 923/4885TAAR1 428/4885ALDH1A1 365/4885

“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.