SCHEMBL3718787

SCHEMBL3718787

Cc1cc(Cl)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
CASP1 P29466 1/20 0.50
LMNA P02545 1/20 0.50
PLA2G1B P04054 1/20 0.50
HTT P42858 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
NR4A1 P22736 1/20 0.47

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
SCHEMBL6964614 0.86 TXN (0.54) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL3708228 0.86 TAAR1 (0.61) NPC1RAB9ACYP1A2KDM4EMAPT
SCHEMBL9739272 0.81 KMT2A (0.66) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL9762921 0.80 NPC1 (0.55) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL17943198 0.79 NPC1 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL11630110 0.78 KCNH3 (0.59) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL18037965 0.78 KMT2A (0.73) NPC1RAB9ACYP1A2MAPTCASP1
SCHEMBL9505657 0.77 RAB9A (0.48) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL9123851 0.76 KMT2A (0.43) NPC1RAB9ACYP1A2KDM4ECASP1
SCHEMBL22628619 0.75 RAB9A (0.65) NPC1RAB9AKDM4EMAPTLMNA

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
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP disclosed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO disclosed
EP-0270111-B1 PYRIMIDINE DERIVATIVES AND AGRICULTURAL OR HORTICULTURAL FUNGICIDAL COMPOSITION CONTANING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4992438-A Pyrimidine derivatives, process for preparing the same and agricultural or horticultural fungicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-12 US disclosed
EP-0270111-A1 Pyrimidine derivatives and agricultural or horticultural fungicidal composition contaning the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-06-08 EP disclosed
US-4256738-A BACTERICIDES, PYRIMIDINYL, QUINAZOLINYL BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US disclosed
EP-0001981-A1 9-(Omega-heteroarylamino-alkylamino)-erythromycins, their salts, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1979-05-30 EP 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR NPC1 1929/4885RAB9A 2151/4885CYP1A2 2418/4885

“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.