SCHEMBL7686989

SCHEMBL7686989

CCCc1nn(C)cc1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
C1S P09871 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
HEXA P06865 1/20 0.30
HEXB P07686 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL17045690 0.83
SCHEMBL18049533 0.82 KDM4E (0.32) MAPTKDM4ENSD2ALDH1A1ADORA2A
SCHEMBL18418905 0.82 TKT (0.35) MAPTKDM4ENSD2ALDH1A1ADORA2A
SCHEMBL21960811 0.79 NOS3 (0.35) MAPTKDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL9052462 0.79 SLC6A2 (0.31) MAPTKDM4ENSD2ALDH1A1
SCHEMBL29505618 0.79 HRH3 (0.31) MAPTKDM4ENSD2ALDH1A1
SCHEMBL28058994 0.78
SCHEMBL291620 0.77 USP2 (0.32) USP2C1S
SCHEMBL1820159 0.77
SCHEMBL28125226 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-6444816-B1 DIETETICS, ANTICHOLESTEROL AGENTS, ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-09-03 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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A USP2 1641/4885C1S 4753/4885MAPT 4520/4885

“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.