SCHEMBL898963

SCHEMBL898963

CNCCN(C)c1cc(C)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.53
HTT P42858 3/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GALR3 O60755 1/20 0.42
SLC2A1 P11166 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAD52 P43351 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MOK Q9UQ07 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6790532 0.76 CYP1A2 (0.60) NCF1CYP1A2KDM4E
SCHEMBL6789734 0.74 CYP1A2 (0.53) NCF1HTTCYP1A2KMT2AMEN1
SCHEMBL6790530 0.73 CYP1A2 (0.56) NCF1HTTCYP1A2KMT2AMEN1
SCHEMBL15139941 0.72 GRIN2D (0.49) KMT2AKDM4E
SCHEMBL28307886 0.71 CRHR1 (0.56) NCF1HTTCYP1A2KDM4E
SCHEMBL14588007 0.70 NCF1 (0.55) NCF1HTTKMT2AMEN1CYP2C19
SCHEMBL6788482 0.70 CYP1A2 (0.56) NCF1HTTCYP1A2KMT2AMEN1
SCHEMBL18043565 0.70 SLC6A2 (0.42) HTTKMT2AMEN1
SCHEMBL899153 0.70 NCF1 (1.00) NCF1HTTKMT2ACYP2C19RAB9A
SCHEMBL21361394 0.69 PRMT1 (0.41) HTTKMT2AMEN1KDM4E

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 NCF1 681/4885HTT 70/4885CYP1A2 26/4885

“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.