SCHEMBL18078644

SCHEMBL18078644

CN(C)CCCC(=O)Nc1ccc(CN2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.68
▸ MAPK8 P45983 13/20 0.68
▸ MAPK9 P45984 13/20 0.68
▸ JUN P05412 12/20 0.68
▸ MAPK10 P53779 8/20 0.66
▸ CCNK O75909 5/20 0.59
▸ CDK7 P50613 5/20 0.59
▸ CDK9 P50750 5/20 0.59
▸ CCNH P51946 5/20 0.59
▸ CDK13 Q14004 5/20 0.59
▸ CDK12 Q9NYV4 5/20 0.59
▸ CCNT1 O60563 4/20 0.59
▸ CCNA2 P20248 3/20 0.59
▸ MNAT1 P51948 3/20 0.56
▸ CDK3 Q00526 1/20 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
SCHEMBL16655348 0.88 MAPK8 (0.71) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655414 0.86 CDK7 (0.79) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655417 0.86 CDK7 (0.79) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL18078677 0.86 MAPK8 (0.65) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16665620 0.84 CDK2 (0.71) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16665666 0.84 CDK2 (0.68) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16665777 0.84 MAPK8 (0.70) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655152 0.83 CDK2 (0.66) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655150 0.83 CDK2 (0.66) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL21397555 0.83 CDK2 (0.51) CDK2MAPK8MAPK9JUNMAPK10

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
WO-2019035866-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2019-02-21 — — WO 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-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK2 33/4885MAPK8 588/4885MAPK9 1013/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK2 4/4885MAPK8 532/4885MAPK9 599/4885

“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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