SCHEMBL7054045

SCHEMBL7054045

Cc1cc(NC(=N)N)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
BACE1 P56817 1/20 0.51
NPFFR1 Q9GZQ6 1/20 0.51
NPFFR2 Q9Y5X5 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
RAB9A P51151 3/20 0.49
LRRK2 Q5S007 3/20 0.48
PAX8 Q06710 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
PDE10A Q9Y233 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
SCHEMBL7055081 0.84 MEN1 (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7052739 0.83 F2 (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7056158 0.83 KMT2A (0.56) KDM4ESMN1; SMN2ALDH1A1NPFFR1NPFFR2
SCHEMBL7051579 0.82 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL7060014 0.81 F2 (0.46) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL7057628 0.81 ALDH1A1 (0.67) ALDH1A1NPFFR1NPFFR2LMNAKMT2A
SCHEMBL7056248 0.80 KMT2A (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL16984472 0.79 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1HPGDBACE1
SCHEMBL7055769 0.79 POLB (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL7059022 0.79 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA

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
US-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 EP disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 US disclosed
EP-2968275-A1 LXR MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2014144037-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 WO disclosed
EP-0131973-B1 NEW AMIDINE DERIVATIVES OF 2-SUBSTITUTED 4-PHENILIMIDAZOLE ISTITUTO DE ANGELI S.p.A. (IT) 1989-08-02 EP disclosed
US-4649150-A ANTISECRETORY AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-03-10 US disclosed
EP-0131973-A1 New amidine derivatives of 2-substituted 4-phenilimidazole ISTITUTO DE ANGELI S.p.A. (IT) 1985-01-23 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 (4 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 KDM4E 4560/4885SMN1; SMN2 459/4885ALDH1A1 390/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 KDM4E 1568/4885SMN1; SMN2 1337/4885ALDH1A1 4570/4885
US-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 KDM4E 3265/4885SMN1; SMN2 4731/4885ALDH1A1 3047/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885SMN1; SMN2 2329/4885ALDH1A1 3738/4885

“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.