SCHEMBL2644551

SCHEMBL2644551

O=c1[nH]c2c(cnn2-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 6/20 0.48
PDE5A O76074 4/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 2/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
CREBBP Q92793 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL6035072 0.84 RAB9A (0.49) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL19327576 0.81 ALDH1A1 (0.51) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL26602181 0.79 GAA (0.49) RAB9AALDH1A1L3MBTL1LMNAPOLB
SCHEMBL4721537 0.78 PARP1 (0.57) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL13235148 0.75 KMT2A (0.68) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL7081465 0.74 RAB9A (0.46) RAB9AALDH1A1PDE5ATSHRLMNA
SCHEMBL13456847 0.74 RAB9A (0.52) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL9491914 0.71 ALDH1A1 (0.54) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL16728898 0.71 RAB9A (0.52) RAB9AALDH1A1PDE5ATSHRHPGD
SCHEMBL11286643 0.71 HPGD (0.72) ALDH1A1HPGDTP53LMNACA9

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-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US claimed
US-6541484-B2 Central nervous system disorders; psychological disorders MERCK SHARP & DOHME LIMITED 2003-04-01 US disclosed
US-20030004180-A1 Pyrazolo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-01-02 US disclosed
EP-1244659-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-10-02 EP disclosed
WO-2001044244-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO disclosed
EP-0005745-B1 PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF GRUPPO LEPETIT S.P.A. (IT) 1982-07-14 EP disclosed
US-4232017-A CNS DEPRESSANTS; TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1980-11-04 US disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 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-20030004180-A1 Pyrazolo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA4, GABRB3 RAB9A 2107/4885ALDH1A1 1355/4885PDE5A 2136/4885

“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.