SCHEMBL16655002

SCHEMBL16655002

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.69
▸ CCNK O75909 5/20 0.69
▸ CDK12 Q9NYV4 5/20 0.69
▸ CCNT1 O60563 4/20 0.69
▸ CDK9 P50750 4/20 0.69
▸ CCNE1 P24864 2/20 0.69
▸ MAPK8 P45983 15/20 0.68
▸ MAPK9 P45984 15/20 0.68
▸ JUN P05412 14/20 0.68
▸ MAPK10 P53779 11/20 0.66
▸ CDK7 P50613 3/20 0.61
▸ CCNH P51946 3/20 0.61
▸ MNAT1 P51948 3/20 0.61

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
SCHEMBL16655050 1.00 CDK2 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL18074109 1.00 CDK2 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16655000 1.00 CDK2 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16654998 1.00 CDK2 (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL18047411 0.89 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL18047413 0.89 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL18047412 0.89 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL16665619 0.86 CDK2 (0.73) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL18047373 0.86 CDK2 (0.73) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL21397217 0.86 CDK2 (0.62) CDK2CCNKCDK12CCNT1CDK9

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
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
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — 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 (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 9/4885CCNK 10/4885CDK12 27/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK2 4/4885CCNK 9/4885CDK12 27/4885

“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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