Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956578

SCHEMBL9956578

SCHEMBL9956578

Cc1ccc(-c2cn3nc(N4CC[C@@H](N(C)C)C4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.39
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ MRGPRX2 Q96LB1 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MELK Q14680 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ MCHR1 Q99705 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 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
SCHEMBL9956583 1.00 KDR (0.39) KDRMAPK8MAPK10BTKMRGPRX2
SCHEMBL9956094 0.90 CLK2 (0.39) HRH4HRH3MELKDPP4DPP8
SCHEMBL9956091 0.90 CLK2 (0.39) HRH4HRH3MELKDPP4DPP8
SCHEMBL9955783 0.89 RIPK1 (0.38) KDRDPP4DPP8DPP9DPP7
SCHEMBL9955779 0.89 RIPK1 (0.38) KDRDPP4DPP8DPP9DPP7
SCHEMBL17328342 0.89 RIPK1 (0.38) KDRDPP4DPP8DPP9DPP7
SCHEMBL9956451 0.88 AAK1 (0.36) KDRDPP4DPP8DPP9DPP7
SCHEMBL9956948 0.88 PTGER4 (0.40) KDRMAPTCSNK1DCSNK1E
SCHEMBL17328316 0.88 KCNH2 (0.38) KDRHRH4HRH3MELKDPP4
SCHEMBL17328329 0.88 KCNH2 (0.38) KDRHRH4HRH3MELKDPP4

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 6 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
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 — — US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 — — 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 (2 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 KDR 2382/4885MAPK8 989/4885MAPK10 1028/4885
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 1625/4885MAPK8 3561/4885MAPK10 4227/4885

“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.