SCHEMBL1048942

SCHEMBL1048942

O=c1[nH]ccc2c(-c3ccc(F)cc3)cnc(Nc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.48
JAK2 O60674 4/20 0.44
PTGS2 P35354 1/20 0.43
FGFR1 P11362 1/20 0.41
TTBK1 Q5TCY1 3/20 0.41
TTBK2 Q6IQ55 3/20 0.41
MAPT P10636 1/20 0.39
CHEK1 O14757 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL27806170 0.95 ZAP70 (0.51) ZAP70JAK2FGFR1TTBK1TTBK2
SCHEMBL1049635 0.92 ZAP70 (0.53) ZAP70JAK2FGFR1TTBK1TTBK2
SCHEMBL1048999 0.89 ZAP70 (0.49) ZAP70JAK2TTBK1TTBK2MAPT
SCHEMBL1043299 0.88 JAK2 (0.49) ZAP70JAK2FGFR1TTBK1TTBK2
SCHEMBL1045523 0.88 JAK2 (0.49) ZAP70JAK2TTBK1TTBK2CHEK1
SCHEMBL1047746 0.88 ZAP70 (0.46) ZAP70JAK2TTBK1TTBK2ABCG2
SCHEMBL1049280 0.85 MAPT (0.49) ZAP70FGFR1TTBK1TTBK2MAPT
SCHEMBL1048920 0.84 CDC7 (0.53) ZAP70JAK2TTBK1TTBK2ALDH1A1
SCHEMBL1045599 0.84 ZAP70 (0.47) ZAP70JAK2TTBK1TTBK2BRD4
SCHEMBL1049397 0.83 NUDT1 (0.48) ZAP70JAK2FGFR1TTBK1TTBK2

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885JAK2 63/4885PTGS2 3054/4885

“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.