SCHEMBL899238

SCHEMBL899238

CCc1c(C)ncnc1NC(CC)CN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1C Q14123 1/20 0.35
SYK P43405 1/20 0.35
TP53 P04637 1/20 0.33
CRHR1 P34998 5/20 0.33
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
AURKA O14965 3/20 0.30
RPS6KB1 P23443 3/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL898173 0.72 CYP1A2 (0.41) KDM4ESMN1; SMN2
SCHEMBL24262442 0.72 YTHDC1 (0.39) BCL2MCL1SMN1; SMN2
SCHEMBL15136219 0.70 EGFR (0.31)
SCHEMBL15136217 0.70 EGFR (0.31)
SCHEMBL463190 0.69 CDC7 (0.39) HPGD
SCHEMBL10959517 0.65 EGFR (0.48) KDM4ENPC1HPGDRAB9A
SCHEMBL10956328 0.64 EGFR (0.56) TP53NPC1HPGDRAB9A
SCHEMBL19957830 0.64 CRHR1 (0.36) PDE1BPDE1APDE1CCRHR1SMN1; SMN2
SCHEMBL10958191 0.62 EGFR (0.46) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10956544 0.62 RXRA (0.50) TP53CRHR1KDM4ENPC1RAB9A

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-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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 (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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO PDE1B 3909/4885PDE1A 4252/4885PDE1C 4188/4885

“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.