SCHEMBL18078658

SCHEMBL18078658

Cc1cnc(NC2CCN(C(=O)c3ccc(N)cc3)CC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 13/20 0.73
▸ MAPK9 P45984 13/20 0.73
▸ JUN P05412 12/20 0.73
▸ MAPK10 P53779 8/20 0.73
▸ CDK2 P24941 13/20 0.61
▸ CDK7 P50613 7/20 0.58
▸ CCNT1 O60563 3/20 0.58
▸ CCNK O75909 3/20 0.58
▸ CDK9 P50750 3/20 0.58
▸ CCNH P51946 3/20 0.58
▸ CDK12 Q9NYV4 3/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ CCNA2 P20248 2/20 0.55
▸ CDK13 Q14004 2/20 0.55

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 0.90 MAPK8 (0.73) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL18078656 0.89 CDK7 (0.71) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16654984 0.88 MAPK8 (0.59) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16654839 0.85 CDK2 (0.73) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16654836 0.85 CDK2 (0.73) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16655011 0.85 CDK2 (0.73) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16654997 0.85 MAPK8 (0.69) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16655327 0.84 MAPK8 (0.70) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL6039389 0.83 MAPK8 (0.77) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL16655426 0.83 CDK2 (0.57) MAPK8MAPK9JUNMAPK10CDK2

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-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
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 MAPK8 352/4885MAPK9 506/4885JUN 139/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR MAPK8 588/4885MAPK9 1013/4885JUN 2452/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 MAPK8 532/4885MAPK9 599/4885JUN 111/4885

“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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