SCHEMBL2249224

SCHEMBL2249224

CN(C)C=Nc1ccc(NC(=O)CCNC(=O)O)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TERT O14746 1/20 0.35
LDHA P00338 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20605289 0.85 ALDH1A1 (0.40) ALDH1A1LMNAGAAKMT2AHTT
SCHEMBL20605293 0.85 ALDH1A1 (0.40) ALDH1A1LMNAGAAKMT2AHTT
SCHEMBL20605383 0.80 POLB (0.35) ALDH1A1LMNAGAAKMT2AHTT
SCHEMBL22619977 0.80 POLB (0.35) ALDH1A1LMNAGAAKMT2AHTT
SCHEMBL22076875 0.78 NPC1 (0.37) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL22076876 0.78 NPC1 (0.37) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL19322331 0.78 ALDH1A1 (0.38) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL2249233 0.77 IMPDH2 (0.36) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL24167727 0.77 EGFR (0.40) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL6588041 0.77 EGFR (0.40) ALDH1A1LMNAGAAKMT2AMEN1

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 ALDH1A1 2222/4885LMNA 3026/4885GAA 1164/4885

“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.