SCHEMBL1298405

SCHEMBL1298405

O=c1[nH]ccc2nc(NCc3ccc(F)cc3)nc(Nc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.44
NTRK1 P04629 1/20 0.43
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
LRRK2 Q5S007 1/20 0.42
PTK2 Q05397 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
VNN1 O95497 1/20 0.41
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APP P05067 1/20 0.40
TYK2 P29597 1/20 0.40
ZAP70 P43403 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
SCHEMBL1298683 0.91 NTRK1 (0.46) KCNH3NTRK1HTR2CHTR2ALRRK2
SCHEMBL1299024 0.82 JAK2 (0.46) KCNH3LRRK2JAK2JAK1TYK2
SCHEMBL1299026 0.82 JAK2 (0.46) KCNH3LRRK2JAK2JAK1TYK2
SCHEMBL12103610 0.79 LRRK2 (0.46) LRRK2JAK2JAK1TYK2
SCHEMBL1298446 0.78 SLC2A1 (0.51) LRRK2JAK2JAK1TYK2
SCHEMBL1298221 0.78 LRRK2 (0.45) KCNH3LRRK2JAK2JAK1ZAP70
Hydrochloric Acid SCHEMBL1298178 0.78 LRRK2 (0.45) LRRK2JAK2JAK1TYK2
SCHEMBL1298079 0.77 PTK2 (0.51) NTRK1LRRK2PTK2JAK2JAK1
SCHEMBL1298090 0.77 LRRK2 (0.48) LRRK2JAK2JAK1ZAP70
SCHEMBL1298387 0.77 SLC2A1 (0.54) HTR2CHTR2ALRRK2JAK2JAK1

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-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-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
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 KCNH3 1648/4885NTRK1 789/4885HTR2C 4160/4885

“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.