SCHEMBL16665609

SCHEMBL16665609

N[C@@H]1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.69
▸ CCNK O75909 12/20 0.69
▸ CDK12 Q9NYV4 12/20 0.69
▸ CCNH P51946 10/20 0.69
▸ MNAT1 P51948 9/20 0.69
▸ CDK2 P24941 12/20 0.68
▸ CCNT1 O60563 10/20 0.68
▸ CDK9 P50750 10/20 0.68
▸ CCNE1 P24864 8/20 0.68
▸ CRBN Q96SW2 1/20 0.68
▸ JUN P05412 5/20 0.61
▸ MAPK8 P45983 5/20 0.61
▸ MAPK9 P45984 5/20 0.61
▸ MAPK10 P53779 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
SCHEMBL18074062 1.00 CDK7 (0.69) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17150431 0.94 CDK7 (0.71) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL21026860 0.94 CCNK (0.72) CDK7CCNKCDK12CCNHMNAT1
Hydrochloric Acid SCHEMBL19024483 0.93 CDK7 (0.70) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL23336227 0.87 CDK2 (0.64) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL23336235 0.85 CDK7 (0.61) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL16665619 0.85 CDK2 (0.73) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL18047373 0.85 CDK2 (0.73) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL30456603 0.85 CCNK (0.69) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17141346 0.85 CDK2 (0.79) CDK7CCNKCDK12CCNHMNAT1

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 3 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
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 CDK7 1/4885CCNK 10/4885CDK12 27/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNK 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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