SCHEMBL2249233

SCHEMBL2249233

CCN(C(=O)O)C(=O)Nc1ccc(N=CN(C)C)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.36
ALDH1A1 P00352 6/20 0.34
NPY2R P49146 2/20 0.34
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 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
SCHEMBL20605293 0.84 ALDH1A1 (0.40) IMPDH2ALDH1A1LMNAHTTKMT2A
SCHEMBL20605289 0.84 ALDH1A1 (0.40) IMPDH2ALDH1A1LMNAHTTKMT2A
SCHEMBL19322331 0.78 ALDH1A1 (0.38) IMPDH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2249224 0.77 ALDH1A1 (0.37) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL24167727 0.77 EGFR (0.40) IMPDH2ALDH1A1LMNAMEN1HTT
SCHEMBL6588041 0.77 EGFR (0.40) IMPDH2ALDH1A1LMNAMEN1HTT
SCHEMBL6584471 0.77 EGFR (0.40) IMPDH2ALDH1A1LMNAMEN1HTT
SCHEMBL30478652 0.77 ALDH1A1 (0.35) IMPDH2ALDH1A1NPY2RMAPTGAA
SCHEMBL19322333 0.76 ALDH1A1 (0.41) IMPDH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22076876 0.74 NPC1 (0.37) ALDH1A1LMNAMEN1HTTKMT2A

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-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP disclosed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US disclosed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 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-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IMPDH2 1736/4885ALDH1A1 2222/4885NPY2R 4428/4885

“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.