SCHEMBL2203561

SCHEMBL2203561

COc1cc(C2=CCCN(C)C2)ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 6/20 0.50
▸ CCNT1 O60563 11/20 0.40
▸ CDK9 P50750 11/20 0.40
▸ AURKB Q96GD4 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL2204845 0.92 IGF1R (0.54) IGF1RAURKBMAP4K1
SCHEMBL2203824 0.91 IGF1R (0.62) IGF1RCCNT1CDK9AURKB
SCHEMBL2203278 0.87 IGF1R (0.57) IGF1RCCNT1CDK9AURKB
SCHEMBL2206429 0.87 IGF1R (0.68) IGF1RCCNT1CDK9AURKB
SCHEMBL2205773 0.86 IGF1R (0.46) IGF1RAURKBMAP4K1
SCHEMBL2207132 0.85 IGF1R (0.58) IGF1RCCNT1CDK9AURKBPARP1
SCHEMBL2206099 0.84 IGF1R (0.46) IGF1RAURKBPARP1DHODH
SCHEMBL2206075 0.84 IGF1R (0.57) IGF1RCCNT1CDK9AURKBPARP1
SCHEMBL2202712 0.84 IGF1R (0.57) IGF1RCCNT1CDK9AURKBPARP1
SCHEMBL2207205 0.84 IGF1R (0.57) IGF1RCCNT1CDK9AURKB

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 1/4885CCNT1 430/4885CDK9 216/4885

“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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