SCHEMBL903009

SCHEMBL903009

CCc1c(C)ncnc1NCCNC(=O)/C=C/C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 8/20 0.33
CYP3A4 P08684 7/20 0.33
CYP1A2 P05177 6/20 0.33
TSHR P16473 6/20 0.33
ALOX15 P16050 2/20 0.33
CYP2C9 P11712 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
CLK4 Q9HAZ1 4/20 0.32
LMNA P02545 3/20 0.32
HIF1A Q16665 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 3/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 2/20 0.32

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
SCHEMBL15136241 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL15136217 0.68 EGFR (0.31)
SCHEMBL18570428 0.68 LY96 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL23174649 0.67 ALDH1A1 (0.50) ALDH1A1MCL1LMNASMN1; SMN2
SCHEMBL899401 0.67 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2
SCHEMBL899399 0.67 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL898173 0.67 CYP1A2 (0.41) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL14381984 0.65 TAS1R3 (0.42) ALDH1A1LMNASMN1; SMN2MAP3K7TAB1
SCHEMBL24262442 0.64 YTHDC1 (0.39) MEN1KMT2AHSD17B10CYP3A4CYP1A2
SCHEMBL14162976 0.64 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP3A4TSHR

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 7 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
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
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US 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 ALDH1A1 1345/4885KDM4E 2592/4885MEN1 1940/4885

“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.