SCHEMBL17273459

SCHEMBL17273459

Cc1nn(Cc2cccc(OC(F)(F)F)c2)c(C)c1-c1c[nH]c2ncc(-c3ccc(N4CCNCC4)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.56
MAP4K1 Q92918 7/20 0.49
IL2 P60568 4/20 0.49
BRD4 O60885 1/20 0.45
BCL2A1 Q16548 1/20 0.40
MAPK1 P28482 1/20 0.40
ACVR1 Q04771 2/20 0.39
TGFBR1 P36897 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
MAP3K11 Q16584 2/20 0.39
ACVRL1 P37023 1/20 0.39

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
Hydrochloric Acid SCHEMBL15557566 0.99 ALK (0.55) ALKMAP4K1IL2BRD4BCL2A1
SCHEMBL15599345 0.92 ALK (0.55) ALKMAP4K1IL2BRD4CCNT1
SCHEMBL17273490 0.91 ALK (0.57) ALKMAP4K1IL2BCL2A1MAPK1
SCHEMBL17273500 0.91 ALK (0.57) ALKMAP4K1IL2BCL2A1ACVR1
Hydrochloric Acid SCHEMBL15557537 0.91 ALK (0.56) ALKMAP4K1IL2BCL2A1ACVR1
Hydrochloric Acid SCHEMBL17273444 0.91 ALK (0.56) ALKMAP4K1IL2BCL2A1MAPK1
SCHEMBL17273492 0.89 ALK (0.70) ALKMAP4K1IL2BCL2A1MAPK1
Hydrochloric Acid SCHEMBL17273481 0.88 ALK (0.69) ALKMAP4K1IL2BCL2A1MAPK1
SCHEMBL17273457 0.88 ALK (0.60) ALKMAP4K1IL2MAPK1MAP3K11
SCHEMBL17273378 0.87 ALK (0.51) ALKMAP4K1IL2BRD4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US claimed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US claimed

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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 ALK 408/4885MAP4K1 27/4885IL2 3532/4885

“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.