SCHEMBL16482204

SCHEMBL16482204

CC(=O)Nc1ccc(C(=O)C(C)Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.53
▸ HCAR3 P49019 9/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ DEGS1 O15121 1/20 0.43
▸ HCAR2 Q8TDS4 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ NNMT P40261 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL27992607 0.88 HCAR3 (0.54) HCAR3DEGS1HCAR2NNMTHDAC1
SCHEMBL16754096 0.80 GRIN2B (0.45) HCAR3DEGS1HCAR2HDAC1
SCHEMBL7093993 0.80 PTK2 (0.62) PTK2HCAR3CYP1A2GAAKMT2A
SCHEMBL20159392 0.79 PTK2 (0.47) PTK2HCAR3CYP1A2GAADEGS1
SCHEMBL13321611 0.78 MEN1 (0.50) HCAR3CYP1A2GAADEGS1KMT2A
SCHEMBL82675 0.78 HCAR3 (0.68) PTK2HCAR3CYP1A2GAAHCAR2
SCHEMBL25190504 0.77 PTK2 (0.59) PTK2HCAR3CYP1A2GAAKMT2A
SCHEMBL3465475 0.77 NNMT (0.69) PTK2HCAR3CYP1A2GAANNMT
SCHEMBL1203341 0.76 PTK2 (0.54) PTK2HCAR3CYP1A2GAADEGS1
SCHEMBL1854705 0.76 MAPK1 (0.59) PTK2HCAR3CYP1A2GAADEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US disclosed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — 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 (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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTK2 1528/4885HCAR3 550/4885CYP1A2 4570/4885
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTK2 1528/4885HCAR3 550/4885CYP1A2 4570/4885

“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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