SCHEMBL15938795

SCHEMBL15938795

NCc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
AOC3 Q16853 1/20 0.50
FABP6 P51161 2/20 0.47
GAA P10253 2/20 0.44
PLAU P00749 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAP2K7 O14733 1/20 0.37
TYMS P04818 2/20 0.37

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
SCHEMBL12686275 0.85 PLAU (0.58) ALDH1A1KMT2AMASP2MEN1NUDT1
Hydrochloric Acid SCHEMBL23201245 0.84 PLAU (0.56) ALDH1A1KMT2AMASP2MEN1NUDT1
Hydrochloric Acid SCHEMBL30882573 0.84 PLAU (0.56) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL5681591 0.84 TYMS (0.52) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL727387 0.84 TYMS (0.49) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL5679917 0.81 FABP6 (0.47) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL11098370 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL19364507 0.80 GAA (0.43) GAAPKMROCK1MAP2K7MAPT
SCHEMBL9043160 0.80 MAPT (0.49) GAAPLAUPKMTDP1MAPT
SCHEMBL889019 0.80 GAA (0.43) ALDH1A1KMT2AMEN1FABP6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP 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

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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 ALDH1A1 1766/4885KMT2A 1545/4885MASP2 1924/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885KMT2A 2885/4885MASP2 1/4885

“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.