SCHEMBL16949129

SCHEMBL16949129

NC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(C(=O)c4ccc(C(F)(F)F)cn4)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.44
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ MAP3K11 Q16584 1/20 0.39
▸ SGK1 O00141 4/20 0.39
▸ AXL P30530 2/20 0.39
▸ CAMKK2 Q96RR4 2/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ TAB1 Q15750 1/20 0.39
▸ RIPK1 Q13546 4/20 0.38
▸ IGF1R P08069 2/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ MAPK8 P45983 1/20 0.37

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
SCHEMBL18238157 1.00 BRD4 (0.45) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL16948747 0.95 BRD4 (0.47) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL18238861 0.95 BRD4 (0.47) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL16949397 0.92 BRD4 (0.50) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL18238127 0.92 BRD4 (0.50) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL16946569 0.88 AAK1 (0.51) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL18238045 0.88 AAK1 (0.51) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL16948893 0.88 AXL (0.42) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL18238762 0.88 AXL (0.42) BRD4AAK1CCNT1CCNA2CDK2
SCHEMBL18250468 0.86 SGK1 (0.41) BRD4AAK1CDK2MAP3K11SGK1

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-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — 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 (1 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 BRD4 42/4885AAK1 2013/4885CCNT1 619/4885

“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