SCHEMBL2950833

SCHEMBL2950833

COc1cccc(COc2ccc(-c3nc(N)c4cc(N)ccc4n3)cc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.48
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CSF1R P07333 2/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL2952862 0.92 MAP4K4 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2946180 0.88 DHFR (0.48) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2950029 0.88 EGFR (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2255723 0.87 EGFR (0.47) MRGPRX4GAKEGFR
SCHEMBL2949651 0.87 MRGPRX4 (0.42) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2245906 0.83 CYP19A1 (0.46) MAPTLMNAMEN1GAAKMT2A
SCHEMBL2249328 0.82 HPGD (0.38) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2249164 0.81 MRGPRX4 (0.39) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL12173153 0.80 MRGPRX4 (0.58) MAPTSMN1; SMN2ALDH1A1MRGPRX4HTT
SCHEMBL2953674 0.80 ABCB1 (0.45) MAPTCSF1RCYP1A2CYP1A1CYP1B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
EP-2045245-B1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF TIAN JIN HEMAY BIO TECH CO LTD (CN) 2013-10-23 EP disclosed
US-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
US-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 US disclosed
US-7754729-B2 Quinazoline and quinoline derivatives as irreversible protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-07-13 US disclosed
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 US disclosed
EP-2045245-A1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-04-08 EP 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 (3 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-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES ABL1, MAP3K7, MAP3K5 MAPT 4257/4885SMN1; SMN2 2648/4885ALDH1A1 3148/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 MAPT 1150/4885SMN1; SMN2 3911/4885ALDH1A1 3027/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 MAPT 1150/4885SMN1; SMN2 3911/4885ALDH1A1 3027/4885

“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.