SCHEMBL3054647

SCHEMBL3054647

Nc1cccc(C=Cc2nnn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 4/20 0.41
KDR P35968 4/20 0.35
CHEK1 O14757 1/20 0.35
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL2457562 0.79 KMT2A (0.47) CYP19A1MAOAMAOBNPC1GFER
SCHEMBL2457565 0.79 KMT2A (0.47) CYP19A1MAOAMAOBNPC1GFER
SCHEMBL2774526 0.76 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774532 0.76 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL29664559 0.76 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL13503135 0.75 ALDH1A1 (0.36) NPC1MAPTNPSR1
SCHEMBL11288405 0.72 CYP19A1 (0.91) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL11288404 0.72 CYP19A1 (0.91) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL10481989 0.71 LCK (0.61) CYP19A1MAOAMAOB
SCHEMBL10481928 0.71 NPC1 (0.34) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US claimed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US claimed
US-20090298899-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED 2009-12-03 US claimed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US disclosed
US-20090298899-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED 2009-12-03 US disclosed
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PHARMAGENE LABORATORIES LIMITED (GB) 2008-05-22 US disclosed
US-7326732-B2 EP2 receptor agonists PHARMAGENE LABORATORIES LIMITED (GB) 2008-02-05 US disclosed
EP-1723132-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-22 EP disclosed
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders ASTERAND, INC. 2005-11-17 US disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 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 (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-20090298899-A1 EP2 RECEPTOR AGONISTS PTGER2, PTGER1, TBXA2R CYP19A1 1976/4885MAOA 2900/4885MAOB 2969/4885
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PTGER3, PTGER4, PTGES3 CYP19A1 1055/4885MAOA 3187/4885MAOB 3304/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R CYP19A1 1976/4885MAOA 2900/4885MAOB 2969/4885
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders PTGER3, PTGER1, PTGER4 CYP19A1 1061/4885MAOA 3350/4885MAOB 3340/4885

“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.