SCHEMBL12012897

SCHEMBL12012897

[C-]#[N+]c1cnc2c(N(Cc3ccc(OC)cc3)c3ccccn3)cc(Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL12012890 0.90 PDE1B (0.34) LMNAALDH1A1MAPTPDE1B
SCHEMBL3318342 0.84 HRH1 (0.41) HRH1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL12012904 0.84 PDE1B (0.37) HRH1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL12012907 0.83 PDE1B (0.39) LMNAALDH1A1SMN1; SMN2MAPTPDE1B
SCHEMBL12012903 0.81 PDE1B (0.36) HRH1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL12012899 0.81 PDE1B (0.36) PDE1B
SCHEMBL12012905 0.79 PDE1B (0.40) HRH1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL12012901 0.79 MAPT (0.38) HRH1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL12012887 0.78 PDE1B (0.40) LMNAMEN1TSHRKMT2ASIGMAR1
SCHEMBL3664306 0.76 MAPT (0.38) HRH1LMNACYP1A2CYP3A4CYP2C19

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
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 HRH1 3006/4885LMNA 3149/4885CYP1A2 2306/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 HRH1 3006/4885LMNA 3149/4885CYP1A2 2306/4885

“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.

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