SCHEMBL18047413

SCHEMBL18047413

CN1C[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C[C@H](C(=O)Nc2ccc(NC(=O)O)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.62
▸ CCNT1 O60563 7/20 0.62
▸ CDK9 P50750 7/20 0.62
▸ CCNK O75909 6/20 0.62
▸ CDK12 Q9NYV4 6/20 0.62
▸ CCNE1 P24864 2/20 0.62
▸ MAPK8 P45983 12/20 0.60
▸ MAPK9 P45984 12/20 0.60
▸ JUN P05412 11/20 0.60
▸ MAPK10 P53779 10/20 0.59
▸ CDK7 P50613 6/20 0.57
▸ CCNH P51946 5/20 0.57
▸ MNAT1 P51948 2/20 0.57
▸ CCNA2 P20248 3/20 0.56
▸ CDK13 Q14004 3/20 0.56

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
SCHEMBL18047411 1.00 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL18047412 1.00 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16655340 0.93 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16655339 0.93 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL21397217 0.93 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16655341 0.93 CDK2 (0.62) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL21397470 0.91 CDK9 (0.68) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16655126 0.91 CDK9 (0.68) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16655127 0.91 CDK9 (0.68) CDK2CCNT1CDK9CCNKCDK12
SCHEMBL16665694 0.91 CDK9 (0.68) CDK2CCNT1CDK9CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CDK2 9/4885CCNT1 28/4885CDK9 8/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK2 4/4885CCNT1 33/4885CDK9 12/4885

“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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