SCHEMBL16665659

SCHEMBL16665659

Clc1cnc(NC2CCNCC2)nc1-c1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.45
▸ CDK9 P50750 15/20 0.43
▸ CCNK O75909 15/20 0.43
▸ CDK12 Q9NYV4 15/20 0.43
▸ CCNE1 P24864 14/20 0.43
▸ CDK2 P24941 14/20 0.43
▸ CCNT1 O60563 14/20 0.43
▸ CDK7 P50613 12/20 0.43
▸ CCNH P51946 10/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ MNAT1 P51948 9/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL22977485 0.82 ULK1 (0.47) CDK9CCNKCDK12CCNE1CDK2
SCHEMBL22977514 0.80 CDK2 (0.67) IKBKBCDK9CCNE1CDK2CCNT1
SCHEMBL30449686 0.80 CDK2 (0.67) IKBKBCDK9CCNE1CDK2CCNT1
SCHEMBL16665774 0.79 CDK2 (0.45) CDK9CCNKCDK12CCNE1CDK2
SCHEMBL16665600 0.75 MAPK8 (0.53) CCNE1CDK2CCNT1MAPK1CCNB2
SCHEMBL31334428 0.73 ADORA1 (0.53) IKBKBCDK9CCNKCDK12CCNE1
SCHEMBL31333658 0.73 ADORA1 (0.53) IKBKBCDK9CCNKCDK12CCNE1
SCHEMBL6039764 0.72 CDK2 (0.78) CDK9CCNKCDK12CCNE1CDK2
SCHEMBL29994490 0.72 CDK2 (0.78) CDK9CCNKCDK12CCNE1CDK2
Hydrochloric Acid SCHEMBL17141264 0.71 CDK2 (0.76) CDK9CCNKCDK12CCNE1CDK2

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-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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US 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 (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 IKBKB 154/4885CDK9 8/4885CCNK 10/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 IKBKB 97/4885CDK9 12/4885CCNK 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.

Send feedback