SCHEMBL9957092

SCHEMBL9957092

CCOC(=O)CCCCCOc1ccc(C(F)(F)F)c(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
CSNK1D P48730 7/20 0.35
CSNK1E P49674 7/20 0.35
MAPT P10636 1/20 0.35
RIPK1 Q13546 1/20 0.34
ALDH2 P05091 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMO Q99835 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
TP53 P04637 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL9955275 1.00 PDK2 (0.36) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9956536 0.99 PDK2 (0.36) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9956353 0.97 CSNK1D (0.36) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9956649 0.95 PDK2 (0.38) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9955790 0.95 PDK2 (0.38) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9955468 0.94 PDK2 (0.38) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL10277116 0.92 PDK2 (0.36) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL10277200 0.92 PDK2 (0.37) PDK2CSNK1DCSNK1EMAPTRIPK1
SCHEMBL9956918 0.91 CSNK1D (0.38) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9957123 0.86 F2RL3 (0.40) CSNK1DCSNK1ERIPK1F2RL3TP53

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 PDK2 43/4885CSNK1D 655/4885CSNK1E 852/4885

“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.