SCHEMBL9956987

SCHEMBL9956987

O=C(Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CSNK1D P48730 5/20 0.39
CSNK1E P49674 5/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
MET P08581 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RBP4 P02753 1/20 0.36
DGAT1 O75907 3/20 0.36
DHODH Q02127 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9955410 0.92 CSNK1D (0.41) CSNK1DCSNK1EHDAC3HDAC1HDAC2
SCHEMBL9957045 0.91 CSNK1D (0.38) CSNK1DCSNK1EHDAC1HDAC2DHODH
SCHEMBL17328326 0.89 CSNK1D (0.42) CSNK1DCSNK1EDHODHRXFP1
SCHEMBL9956193 0.89 CSNK1D (0.39) CSNK1DCSNK1EHDAC3HDAC1HDAC2
SCHEMBL9957493 0.87 CSNK1D (0.46) MAPTCSNK1DCSNK1EALDH1A1RXFP1
SCHEMBL9956297 0.86 CSNK1D (0.44) CSNK1DCSNK1EMETRXFP1MEN1
SCHEMBL9956004 0.86 CSNK1D (0.42) CSNK1DCSNK1EALDH1A1
SCHEMBL9955461 0.86 CSNK1D (0.46) CSNK1DCSNK1EHDAC3HDAC1HDAC2
SCHEMBL9956314 0.85 CSNK1D (0.46) CSNK1DCSNK1EDHODHRXFP1
SCHEMBL9957489 0.85 CSNK1D (0.38) CSNK1DCSNK1EDHODH

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-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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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 MAPT 4038/4885CSNK1D 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.