SCHEMBL1590959

SCHEMBL1590959

O=C(c1ccc(Nc2nc(Cl)nc3[nH]cnc23)cc1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
TNKS O95271 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BTK Q06187 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
BLK P51451 1/20 0.41
ITK Q08881 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
SCHEMBL7110570 0.81 POLB (0.55) NPC1EGFR
SCHEMBL4894848 0.80 MKNK1 (0.52) NPC1EGFRSRC
SCHEMBL13303605 0.80 SYK (0.61) HPGDBTKSRC
SCHEMBL1590688 0.79 FLT3 (0.52) BTKSRC
SCHEMBL2996501 0.76 AURKA (0.46) ALDH1A1MEN1KMT2AEGFR
SCHEMBL1590863 0.76 NPC1 (0.50) GRM5TNKSHPGDALDH1A1NPC1
SCHEMBL4846337 0.76 TTBK1 (0.43) MEN1KMT2ASRC
SCHEMBL4899889 0.76 EGFR (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5840442 0.73 MKNK1 (0.47) EGFR
SCHEMBL3001378 0.73 NFKB1 (0.46) MEN1KMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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 (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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN GRM5 857/4885TNKS 782/4885HPGD 4557/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK GRM5 1751/4885TNKS 283/4885HPGD 1771/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN GRM5 857/4885TNKS 782/4885HPGD 4557/4885

“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.