SCHEMBL15944989

SCHEMBL15944989

O=C(Nc1nc2ccncc2[nH]1)C1CC1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.68
ROCK2 O75116 2/20 0.62
NAMPT P43490 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
ITK Q08881 2/20 0.48
DEGS1 O15121 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL15938994 0.87 LPAR2 (0.77) LPAR2NAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL15944986 0.81 LPAR2 (0.61) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15944951 0.81 LPAR2 (1.00) LPAR2NAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL15944950 0.81 LPAR2 (0.77) LPAR2NAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL15944992 0.80 LPAR2 (0.62) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15944968 0.80 LPAR2 (0.71) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15939272 0.80 LPAR2 (0.68) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15944964 0.80 LPAR2 (0.78) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15944995 0.80 LPAR2 (0.59) LPAR2ROCK2NAMPTSMN1; SMN2ALDH1A1
SCHEMBL15944999 0.79 LPAR2 (0.74) LPAR2NAMPTSMN1; SMN2ALDH1A1LMNA

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-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 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 (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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 LPAR2 2/4885ROCK2 209/4885NAMPT 1018/4885

“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.