SCHEMBL16655339

SCHEMBL16655339

CN1C[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C[C@@H](C(=O)Nc2ccc(N)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.62
▸ MAPK8 P45983 10/20 0.62
▸ MAPK9 P45984 10/20 0.62
▸ JUN P05412 9/20 0.62
▸ CCNT1 O60563 5/20 0.61
▸ CCNK O75909 5/20 0.61
▸ CDK9 P50750 5/20 0.61
▸ CDK12 Q9NYV4 5/20 0.61
▸ CCNE1 P24864 2/20 0.61
▸ CDK7 P50613 8/20 0.60
▸ MAPK10 P53779 8/20 0.58
▸ CCNH P51946 3/20 0.56
▸ CDK13 Q14004 2/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ MNAT1 P51948 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
SCHEMBL16655341 1.00 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL16655340 1.00 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL21397217 1.00 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL18047412 0.93 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL18047413 0.93 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL18047411 0.93 CDK2 (0.62) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL21397470 0.90 CDK9 (0.68) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL16655126 0.90 CDK9 (0.68) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL16665694 0.90 CDK9 (0.68) CDK2MAPK8MAPK9JUNCCNT1
SCHEMBL16655127 0.90 CDK9 (0.68) CDK2MAPK8MAPK9JUNCCNT1

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 9 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-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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO 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 (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 CDK2 9/4885MAPK8 352/4885MAPK9 506/4885
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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