SCHEMBL12852307

SCHEMBL12852307

O=C(NCc1ccccn1)c1snnc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK14 Q16539 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
GLS O94925 1/20 0.47
HTT P42858 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
SCHEMBL2872524 0.84 ABCC8 (0.58) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL11536486 0.80 HPGD (0.55) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL12852318 0.79 ATM (0.58) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL20525051 0.74 LMNA (0.67) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL3233775 0.74 ABCC8 (0.43) RAB9AABCC8KCNJ11
SCHEMBL2869134 0.74 LMNA (0.61) SMN1; SMN2MEN1KMT2AKDM4ERECQL
SCHEMBL2868146 0.72 ABCC8 (0.47) SMN1; SMN2KDM4EALDH1A1POLBLMNA
SCHEMBL12852331 0.72 ATM (0.50) ABCC8KCNJ11
SCHEMBL13938111 0.71 ATM (0.52) ABCC8KCNJ11
SCHEMBL2863854 0.71 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2ARECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3034494-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS President and Fellows of Harvard College (US) 2016-06-22 EP disclosed
US-20160102053-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-14 US disclosed
US-9108955-B2 Heterocyclic inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-18 US disclosed
US-20140128437-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-08 US disclosed
US-8658689-B2 Heterocyclic inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-02-25 US disclosed
US-20120309795-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-06 US disclosed
US-8278344-B2 Heterocyclic inhibitors of necroptosis THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-02 US disclosed
US-8278344-B2 Heterocyclic inhibitors of necroptosis THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-02 US disclosed
US-20100317701-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100317701-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20090099242-A1 Heterocyclic inhibitors of necroptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
US-20090099242-A1 Heterocyclic inhibitors of necroptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
WO-2009023272-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-19 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 (5 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-20160102053-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 SMN1; SMN2 2755/4885HPGD 888/4885MEN1 3518/4885
US-20100317701-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 SMN1; SMN2 2755/4885HPGD 888/4885MEN1 3518/4885
US-20090099242-A1 Heterocyclic inhibitors of necroptosis TNF, RIPK1, RIPK3 SMN1; SMN2 2755/4885HPGD 888/4885MEN1 3518/4885
US-20140128437-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 SMN1; SMN2 2755/4885HPGD 888/4885MEN1 3518/4885
US-20120309795-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 SMN1; SMN2 2755/4885HPGD 888/4885MEN1 3518/4885

“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.