SCHEMBL16611115

SCHEMBL16611115

N#Cc1cccc(F)c1-n1nc(-c2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
LRRK2 Q5S007 3/20 0.38
TYK2 P29597 3/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
ZAP70 P43403 3/20 0.37
TBK1 Q9UHD2 1/20 0.36
JAK2 O60674 3/20 0.36
MGAT2 Q10469 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK1 P23458 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL16611949 0.91 ZAP70 (0.41) CCNA2CDK2ZAP70KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16611399 0.90 ZAP70 (0.41) CCNA2CDK2ZAP70KDM4EALDH1A1
SCHEMBL16611114 0.89 CNR2 (0.43) LRRK2TYK2TBK1JAK2
SCHEMBL16611369 0.86 CCNA2 (0.41) CCNA2CDK2LRRK2CDK1CDK4
SCHEMBL16611423 0.83 ZAP70 (0.41) CCNA2CDK2ZAP70KDM4EPDGFRB
SCHEMBL16611246 0.82 CDK2 (0.44) CCNA2CDK2LRRK2TYK2CDK1
SCHEMBL16726713 0.81 KHK (0.37) ALDH1A1HSD17B10
SCHEMBL16611236 0.80 DGAT1 (0.36) TYK2JAK2JAK1
SCHEMBL16611763 0.79 CCNA2 (0.43) CCNA2CDK2LRRK2TYK2CDK1
SCHEMBL16610974 0.79 CNR2 (0.49)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CCNA2 1165/4885CDK2 302/4885LRRK2 1393/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CCNA2 1165/4885CDK2 302/4885LRRK2 1393/4885

“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.