SCHEMBL3325286

SCHEMBL3325286

CN(c1ccc(C#N)cn1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
KCNH2 Q12809 5/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
CHRM4 P08173 1/20 0.43
SMO Q99835 1/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL3327197 0.88 CYP3A4 (0.49) CYP3A4CCNA2CDK2JAK3JAK2
SCHEMBL27297319 0.77 CCNA2 (0.58) CCNA2CDK2JAK3JAK2
SCHEMBL31473391 0.77 CCNA2 (0.58) CCNA2CDK2JAK3JAK2
SCHEMBL3330713 0.74 CYP3A4 (0.49) CYP3A4JAK3JAK2KDM4EALDH1A1
SCHEMBL6592239 0.73 CYP3A4 (0.49) CYP3A4KCNH2GPR119KDM4EALDH1A1
SCHEMBL16569508 0.73 HRH3 (0.54)
SCHEMBL27296079 0.71 CCNA2 (0.47) KCNH2CCNA2CDK2JAK3JAK2
SCHEMBL31473402 0.71 CCNA2 (0.47) KCNH2CCNA2CDK2JAK3JAK2
SCHEMBL31473466 0.71 JAK2 (0.47) CCNA2CDK2JAK3JAK2KDM4E
SCHEMBL27306410 0.71 JAK2 (0.47) CCNA2CDK2JAK3JAK2KDM4E

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
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US claimed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP claimed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO claimed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO 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-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A CYP3A4 1218/4885KCNH2 363/4885CCNA2 1146/4885

“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.