SCHEMBL20740599

SCHEMBL20740599

Cn1nc2cc(Br)ccc2c1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
MPO P05164 1/20 0.35
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ACHE P22303 1/20 0.33
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
GRM5 P41594 1/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL26114686 0.83 HTT (0.39) MPOPIK3CBMTORPRKDCATM
SCHEMBL2144329 0.72 PDGFRA (0.44) HRH4MPOHTTNPC1ALDH1A1
SCHEMBL17610140 0.70 HRH4 (0.40) HRH4MPOACHEHTTMEN1
SCHEMBL21114102 0.70 HRH4 (0.37) HRH4MPOACHEHTTMEN1
SCHEMBL13106459 0.68 HTT (0.36) HRH4MPOHTTMEN1KMT2A
SCHEMBL28132026 0.67 MET (0.39) ACHEPIK3CBMTORPRKDCATM
SCHEMBL27359756 0.67 PDE10A (0.38) HRH4MPOHTTMEN1KMT2A
SCHEMBL705027 0.67 BRD4 (0.39) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL25680318 0.66 TLR7 (0.47) ATMPOLBNPC1ALDH1A1MAPT
SCHEMBL4730929 0.66 CDK5 (0.41) HTTMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444246-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2019-11-06 EP disclosed
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-11-05 US disclosed
US-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
EP-3444246-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 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 (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-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CDK4, CDK2, CDK6 HRH4 3232/4885MPO 4742/4885DRD2 2992/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 HRH4 3225/4885MPO 4803/4885DRD2 3198/4885

“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.