SCHEMBL20764176

SCHEMBL20764176

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 14/20 0.73
▸ MAPK9 P45984 14/20 0.73
▸ CDK2 P24941 13/20 0.73
▸ JUN P05412 13/20 0.73
▸ MAPK10 P53779 10/20 0.73
▸ CDK7 P50613 6/20 0.70
▸ CCNT1 O60563 2/20 0.65
▸ CCNK O75909 2/20 0.65
▸ CDK9 P50750 2/20 0.65
▸ CCNH P51946 2/20 0.65
▸ CDK13 Q14004 2/20 0.65
▸ CDK12 Q9NYV4 2/20 0.65
▸ CCNA2 P20248 1/20 0.65
▸ MNAT1 P51948 1/20 0.60
▸ CDK3 Q00526 1/20 0.60

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
SCHEMBL16654839 0.95 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL16654836 0.95 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL16655011 0.95 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039389 0.94 MAPK8 (0.77) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL18078655 0.92 MAPK8 (0.70) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL20041398 0.91 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL21561673 0.91 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL18078658 0.90 MAPK8 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL16654997 0.90 MAPK8 (0.69) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL16655083 0.90 CDK7 (0.72) MAPK8MAPK9CDK2JUNMAPK10

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
WO-2019035866-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2019-02-21 — — 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 MAPK8 352/4885MAPK9 506/4885CDK2 9/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR MAPK8 588/4885MAPK9 1013/4885CDK2 33/4885

“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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