SCHEMBL2906800

SCHEMBL2906800

O=C(O)Cc1ccc(-c2cnccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
PIM2 Q9P1W9 2/20 0.49
PIM1 P11309 1/20 0.49
WNT3A P56704 7/20 0.48
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL26125738 0.85 WNT3A (0.50) KMT2APIM2PIM1WNT3ACA2
SCHEMBL1124235 0.80 CA12 (0.46) HTTPIM2PIM1WNT3ACA2
SCHEMBL11826134 0.79 MMP12 (0.48) PIM2PIM1WNT3ACA2CA12
SCHEMBL1919022 0.79 MKNK1 (0.55) PIM2PIM1WNT3ACA2CA12
SCHEMBL538208 0.78 ABCC4 (0.61) KMT2AABCC4LMNAGAATSHR
SCHEMBL30433544 0.78 ABCC4 (0.61) KMT2AABCC4LMNAGAATSHR
SCHEMBL11541937 0.78 CYP2D6 (0.60) PIM2PIM1CYP2D6CYP19A1CYP2C9
SCHEMBL1221263 0.77 MKNK1 (0.56) GAANAPRTPIM2PIM1P4HTM
SCHEMBL7615000 0.77 TPH1 (0.55) PTGS1PIM2PIM1
SCHEMBL7615005 0.77 TPH1 (0.55) PTGS1PIM2PIM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
EP-2212291-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009054984-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO disclosed
WO-2009054984-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 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-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I KMT2A 3110/4885ABCC4 425/4885LMNA 2044/4885

“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.