Sugi Predict

Sugi Predict / Compounds / SCHEMBL9955445

SCHEMBL9955445

SCHEMBL9955445

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(O)CC4)ccc3n2)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ CSNK1D P48730 3/20 0.36
▸ CSNK1E P49674 3/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ RBP4 P02753 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 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
SCHEMBL9955948 0.90 GAA (0.41) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9955566 0.88 POLB (0.41) KDREGFRFGFR1MAPTCSNK1D
SCHEMBL9956696 0.87 RBP4 (0.42) MAPTCSNK1DCSNK1ENPC1RAB9A
SCHEMBL9955000 0.87 SMO (0.38) KDREGFRFGFR1MAPTCSNK1D
SCHEMBL9957064 0.87 SMO (0.38) KDREGFRFGFR1MAPTCSNK1D
SCHEMBL9956948 0.86 PTGER4 (0.40) KDRFGFR1MAPTCSNK1DCSNK1E
SCHEMBL9956271 0.85 RBP4 (0.38) KDRFGFR1CSNK1DCSNK1ENPC1
SCHEMBL17328315 0.84 CLK2 (0.40) CSNK1DCSNK1ERBP4RXFP1DPP4
SCHEMBL9956873 0.84 CLK2 (0.40) CSNK1DCSNK1ERBP4RXFP1DPP4
SCHEMBL9955490 0.84 CLK2 (0.40) CSNK1DCSNK1ERBP4RXFP1DPP4

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
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 — — EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 — — US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 — — WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 — — EP 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 KDR 1625/4885EGFR 576/4885FGFR1 660/4885

“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.