SCHEMBL1298683

SCHEMBL1298683

O=c1[nH]ccc2nc(NCc3ccccc3)nc(Nc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
APP P05067 2/20 0.46
LRRK2 Q5S007 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
TYK2 P29597 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ZAP70 P43403 1/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 2/20 0.42
PLK1 P53350 1/20 0.41
SLC2A1 P11166 1/20 0.41
BCDIN3D Q7Z5W3 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1298405 0.91 KCNH3 (0.44) NTRK1APPLRRK2CTNNB1TCF7L2
SCHEMBL1298079 0.82 PTK2 (0.51) NTRK1LRRK2TYK2ZAP70JAK2
SCHEMBL1298349 0.81 LRRK2 (0.43) LRRK2CTNNB1TCF7L2TYK2ZAP70
SCHEMBL12103610 0.80 LRRK2 (0.46) LRRK2TYK2JAK2JAK1SLC2A1
SCHEMBL1298446 0.79 SLC2A1 (0.51) LRRK2TYK2JAK2JAK1SLC2A1
Hydrochloric Acid SCHEMBL1298178 0.79 LRRK2 (0.45) LRRK2TYK2JAK2JAK1SLC2A1
SCHEMBL1298221 0.79 LRRK2 (0.45) LRRK2ZAP70JAK2JAK1SLC2A1
SCHEMBL1299056 0.78 LRRK2 (0.46) NTRK1APPLRRK2TYK2ZAP70
SCHEMBL1298090 0.78 LRRK2 (0.48) LRRK2ZAP70JAK2JAK1SLC2A1
SCHEMBL1298387 0.78 SLC2A1 (0.54) LRRK2HTR2AHTR2CJAK2JAK1

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-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US claimed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US claimed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 NTRK1 789/4885APP 1317/4885LRRK2 436/4885

“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.