SCHEMBL1083874

SCHEMBL1083874

Fc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 1.00
MAPT P10636 2/20 1.00
POLB P06746 1/20 1.00
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
USP1 O94782 6/20 0.71
WDR48 Q8TAF3 6/20 0.71
RXFP1 Q9HBX9 1/20 0.71
LMNA P02545 4/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
TSHR P16473 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CYP2C19 P33261 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ALDH1A1 P00352 1/20 0.70
PDE5A O76074 3/20 0.68
GBA1 P04062 2/20 0.68
ATM Q13315 1/20 0.68

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
SCHEMBL1083888 0.85 MAPK1 (0.73) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1084178 0.84 MAPT (0.73) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL28805460 0.83 CYP1A2 (0.80) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1083779 0.83 CYP1A2 (0.80) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1084041 0.83 KMT2A (1.00) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1083949 0.83 KMT2A (0.71) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL2590654 0.83 MAPK1 (0.71) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1084254 0.82 KMT2A (1.00) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL1084183 0.82 MEN1 (0.89) MAPK1MAPTPOLBMEN1KMT2A
SCHEMBL27899412 0.82 USP1 (0.71) MAPK1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 US disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 US disclosed
CN-103068393-A Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase CLEAVE BIOSCIENCES INC CLEAVE 2013-04-24 CN disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 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-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 MAPK1 3047/4885MAPT 1557/4885POLB 909/4885

“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.