SCHEMBL2209019

SCHEMBL2209019

COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.51
▸ MAPK8 P45983 4/20 0.51
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ CSF1R P07333 2/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHEK2 O96017 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MKNK2 Q9HBH9 3/20 0.35
▸ PIM1 P11309 2/20 0.34

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
SCHEMBL3133732 0.86 IGF1R (0.46) IGF1RMAPK8ABL1BCRPOLB
SCHEMBL2206637 0.83 CDK4 (0.40) IGF1RMAPK8MAPK10CCNT1CDK9
SCHEMBL3122691 0.79 IGF1R (0.41) IGF1RMAPK8ABL1BCRCHEK2
SCHEMBL12429491 0.79 IGF1R (0.78) IGF1RMAPK8
SCHEMBL2209164 0.76 IGF1R (0.42) IGF1RMAPK8MAPK10CCNT1CDK9
SCHEMBL3762754 0.76 IGF1R (0.48) IGF1RMAPK8ABL1BCRCSF1R
SCHEMBL2203243 0.75 IGF1R (0.38) IGF1RPOLBKMT2ACCNT1CDK9
SCHEMBL2204346 0.75 IGF1R (0.40) IGF1RMAPK8ABL1CCNT1CDK9
SCHEMBL2203278 0.75 IGF1R (0.57) IGF1RMAPK8CCNT1CDK9AURKB
Gsk-1220512A SCHEMBL2205662 0.74 IGF1R (0.65) IGF1RMAPK8MAPK10

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
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — 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-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 IGF1R 1/4885MAPK8 1305/4885ABL1 358/4885

“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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