SCHEMBL20575316

SCHEMBL20575316

OCC(Nc1cc(Cl)ncn1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.44
▸ CCNT1 O60563 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CDK2 P24941 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ EGFR P00533 5/20 0.36
▸ ERBB3 P21860 1/20 0.34

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
SCHEMBL20575148 0.78 HTR7 (0.53) NTRK1JAK2JAK3HTR7EGFR
SCHEMBL20575147 0.78 HTR7 (0.53) NTRK1JAK2JAK3HTR7EGFR
SCHEMBL27738470 0.75 NTRK1 (0.48) NTRK1CCNT1CDK9CDK2JAK2
SCHEMBL13663410 0.75 FAAH (0.62) FAAH
SCHEMBL4292012 0.75 FAAH (0.62) FAAH
SCHEMBL22535401 0.71 NTRK1 (0.65) NTRK1JAK2JAK3
SCHEMBL22328022 0.69 NPC1 (0.64) EGFRERBB3
SCHEMBL2866283 0.69 CDK5 (0.42) CCNT1CDK9CDK2
SCHEMBL4619629 0.69 NTRK1 (0.58) NTRK1CCNT1CDK9CDK2CCNC
SCHEMBL14670569 0.69 NTRK1 (0.58) NTRK1CCNT1CDK9CDK2CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 — — US disclosed
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 — — US disclosed
US-20180346450-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 — — 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 (2 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-20180346450-A1 TRK INHIBITION NTRK1, NTRK3, NTRK2 NTRK1 1/4885CCNT1 2403/4885CDK9 966/4885
US-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 NTRK1 1/4885CCNT1 2403/4885CDK9 966/4885

“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.

Send feedback