SCHEMBL20740577

SCHEMBL20740577

Cc1[nH]c2ccc(Br)cc2c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ CHUK O15111 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HAVCR2 Q8TDQ0 1/20 0.38
▸ AR P10275 1/20 0.38
▸ PRNP P04156 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
SCHEMBL30547021 0.76 HPGD (0.55) LMNAHPGDHTR2AHTR2CHTR7
SCHEMBL410289 0.76 HPGD (0.55) LMNAHPGDHTR2AHTR2CHTR7
SCHEMBL1772458 0.76 GSK3B (0.45) LMNAHPGDMAPTL3MBTL1MAPK1
SCHEMBL24611517 0.74 AHR (0.55) HPGDMAPTNPSR1L3MBTL1MAPK1
SCHEMBL2428852 0.72 HPGD (0.44) LMNAHPGDMAPTNPSR1L3MBTL1
SCHEMBL24063528 0.70 SIRT1 (0.55) LMNAHPGDHTR2AHTR2CHTR7
SCHEMBL23612421 0.70 ALDH1A1 (0.61) LMNAHPGDHTR7HTR6MAPT
SCHEMBL23101646 0.70 MAP4K1 (0.46) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL4659161 0.70 HTR6 (0.68) LMNAHPGDHTR2AHTR7HTR6
SCHEMBL29366993 0.70 CHUK (0.64) LMNAHPGDMAPTNPSR1MAPK1

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 LMNA 3205/4885HPGD 869/4885HTR2A 2971/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 LMNA 3329/4885HPGD 1053/4885HTR2A 2769/4885

“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.

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