SCHEMBL2902533

SCHEMBL2902533

OC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 8/20 0.43
POLB P06746 2/20 0.43
SYK P43405 1/20 0.43
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL2908473 0.86 KDM4E (0.53) KMT2AMEN1LMNAL3MBTL1KDM4E
SCHEMBL2908465 0.80 ALDH1A1 (0.53) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL2906130 0.80 CYP2A13 (0.53) KMT2AMEN1LMNAL3MBTL1KDM4E
SCHEMBL2907387 0.80 ALDH1A1 (0.56) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL2907786 0.80 ALDH1A1 (0.61) KMT2AMEN1LMNAL3MBTL1KDM4E
SCHEMBL18965049 0.77 ALDH1A1 (0.52) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL27972172 0.76 ALDH1A1 (0.44) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL14895695 0.74 ALDH1A1 (0.47) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL14895724 0.74 KMT2A (0.42) KMT2AMEN1LMNAL3MBTL1ATM
SCHEMBL2908931 0.74 ALDH1A1 (0.49) KMT2AMEN1LMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A KMT2A 2510/4885MEN1 1857/4885LMNA 3014/4885

“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.