SCHEMBL18078656

SCHEMBL18078656

Nc1ccc(C(=O)N2CCC(Nc3ncc(C4CC4)c(-c4c[nH]c5ccccc45)n3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.71
▸ CCNH P51946 4/20 0.61
▸ CCNK O75909 3/20 0.61
▸ CDK12 Q9NYV4 3/20 0.61
▸ MNAT1 P51948 1/20 0.59
▸ MAPK8 P45983 12/20 0.58
▸ MAPK9 P45984 12/20 0.58
▸ CDK2 P24941 12/20 0.58
▸ JUN P05412 11/20 0.58
▸ MAPK10 P53779 8/20 0.58
▸ CCNT1 O60563 2/20 0.53
▸ CCNA2 P20248 2/20 0.53
▸ CDK9 P50750 2/20 0.53
▸ CDK13 Q14004 2/20 0.53

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
SCHEMBL20764176 0.89 MAPK8 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL18078658 0.89 MAPK8 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL16654984 0.87 MAPK8 (0.59) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL6039389 0.84 MAPK8 (0.77) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL16655011 0.84 CDK2 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL16654836 0.84 CDK2 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL16654839 0.84 CDK2 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL22778394 0.83 CDK7 (1.00) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17688383 0.83 CDK7 (1.00) CDK7CCNHCCNKCDK12MNAT1
Hydrochloric Acid SCHEMBL16655187 0.82 CDK7 (0.98) CDK7CCNHCCNKCDK12MNAT1

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-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2020-06-25 — — US disclosed
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 (3 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 1/4885CCNH 32/4885CCNK 10/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885CCNK 12/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNH 32/4885CCNK 9/4885

“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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