SCHEMBL16183604

SCHEMBL16183604

Cc1c(-c2ccc(C#N)cc2)ccc2c(N(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TSHR P16473 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ GBA1 P04062 3/20 0.47
▸ CYP11B2 P19099 4/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ CYP11B1 P15538 3/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ LMNA P02545 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
SCHEMBL16183603 0.90 ALDH1A1 (0.52) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14727723 0.83 ABCG2 (0.49) RXFP1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL16183605 0.80 TSHR (0.50) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16183602 0.79 TSHR (0.59) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14727832 0.78 CYP1A2 (0.61) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14727835 0.74 ALDH1A1 (0.53) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14475084 0.73 CYP1A2 (0.52) MEN1ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14727976 0.72 CYP1A2 (0.65) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16186207 0.72 CYP11B2 (0.48) RXFP1ALDH1A1KDM4EMAPK1TSHR
SCHEMBL16183846 0.72 ABCG2 (0.48) RXFP1MEN1ALDH1A1KMT2ASMN1; SMN2

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB RXFP1 3202/4885MEN1 4814/4885ALDH1A1 1687/4885

“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.

Send feedback