SCHEMBL1848870

SCHEMBL1848870

N#Cc1cccnc1NCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
HPGD P15428 8/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL1255046 0.79 GLA (0.58) NPC1RAB9AHPGDCYP2D6CYP1A2
SCHEMBL9691928 0.78 ALDH1A1 (0.45) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL29771405 0.78 ALDH1A1 (0.45) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL11177782 0.77 HPGD (0.60) NPC1RAB9AHPGDCYP2D6CYP1A2
SCHEMBL3111473 0.76 NPC1 (0.58) NPC1RAB9AHPGDCYP2D6CYP1A2
SCHEMBL6697261 0.76 NPC1 (0.58) NPC1RAB9AHPGDCYP2D6CYP1A2
Hydrochloric Acid SCHEMBL6701190 0.75 NPC1 (0.57) NPC1RAB9AHPGDCYP2D6CYP1A2
Hydrochloric Acid SCHEMBL6441990 0.75 NPC1 (0.57) NPC1RAB9AHPGDCYP2D6CYP1A2
SCHEMBL17500003 0.74 HPGD (0.51) NPC1RAB9AHPGDCYP2D6CYP1A2
SCHEMBL1846121 0.74 GLA (0.44) HPGDSMN1; SMN2POLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-12-24 US disclosed
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-12-24 US disclosed
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-12-24 US disclosed
EP-2324024-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
EP-2324024-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-05-25 EP disclosed
WO-2009151589-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 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-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B NPC1 2876/4885RAB9A 3759/4885HPGD 1659/4885
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B NPC1 2876/4885RAB9A 3759/4885HPGD 1659/4885

“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.