SCHEMBL20740537

SCHEMBL20740537

Cc1c2ccc(-c3nc(Cl)ncc3F)cc2nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CDK6 Q00534 8/20 0.35
▸ CDK4 P11802 7/20 0.35
▸ CCND1 P24385 7/20 0.35
▸ KDR P35968 6/20 0.35
▸ KIT P10721 3/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ CHRM4 P08173 3/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL17459809 0.78 CDK6 (0.54) CDK6CDK4CCND1CCNT1CDK1
SCHEMBL29414479 0.76 CDK6 (0.47) CDK6SMN1; SMN2
SCHEMBL28597408 0.76 CDK6 (0.47) CDK6SMN1; SMN2
SCHEMBL18081413 0.75 CDK6 (0.40) CDK6CDK4CCND1CCNT1CDK1
SCHEMBL29520298 0.74 NPC1 (0.39) SMN1; SMN2
SCHEMBL28589667 0.73 CDK6 (0.45) CDK6
SCHEMBL29382194 0.73 CDK6 (0.45) CDK6
SCHEMBL24054325 0.72 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL7256787 0.70 ADORA2A (0.46) KDRKCNH2
SCHEMBL412313 0.70 AHR (0.43) PDGFRA

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 JAK2 224/4885JAK3 371/4885CDK6 3/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 JAK2 278/4885JAK3 364/4885CDK6 3/4885

“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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