SCHEMBL3517971

SCHEMBL3517971

COc1ccc(-c2ccnc(Nc3cccc(S(=O)(=O)NCCCN(C)C)c3)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 5/20 0.53
▸ FLT3 P36888 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ MST1R Q04912 1/20 0.48
▸ TYRO3 Q06418 1/20 0.48

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
SCHEMBL3519883 0.95 IKBKB (0.52) IKBKBFLT3ABL1AURKAMAP4K4
SCHEMBL3521750 0.91 IKBKB (0.65) IKBKBCDK9CDK1CDK2
SCHEMBL3516130 0.88 FLT3 (0.49) IKBKBFLT3ABL1AURKAMAP4K4
SCHEMBL3518567 0.88 PIK3CG (0.58) IKBKBFLT3ABL1AURKAMAP4K4
Acetic Acid SCHEMBL4877880 0.87 IKBKB (0.60) IKBKBABL1CDK9CDK1CDK2
SCHEMBL3515574 0.86 IKBKB (0.64) IKBKBCDK9CDK1CDK2
SCHEMBL3521723 0.86 IKBKB (0.50) IKBKBFLT3ABL1LCKCDK9
SCHEMBL3521501 0.86 IKBKB (0.50) IKBKBFLT3ABL1LCKCDC7
SCHEMBL3520096 0.84 IKBKB (0.49) IKBKBFLT3ABL1CDC7CDK19
SCHEMBL3518170 0.84 IKBKB (0.59) IKBKBCDC7CDK19PIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 — — US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 — — US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 — — US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 — — 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885FLT3 10/4885ABL1 206/4885

“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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