SCHEMBL17239448

SCHEMBL17239448

COC(=O)c1cc(-c2ccccn2)c(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.51
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
AXL P30530 1/20 0.48
ALB P02768 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
SHH Q15465 1/20 0.47
USP28 Q96RU2 1/20 0.47
SLC29A1 Q99808 1/20 0.47
SMO Q99835 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
NTRK3 Q16288 1/20 0.46

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
SCHEMBL30304318 1.00 NTRK1 (0.51) NTRK1GABRG2GABRB3GABRA3AXL
SCHEMBL17239501 0.89 NTRK1 (0.53) NTRK1GABRG2GABRB3GABRA3AXL
SCHEMBL17239550 0.88 NTRK1 (0.53) NTRK1
SCHEMBL17239474 0.88 NTRK1 (0.56) NTRK1GABRG2GABRB3GABRA3AXL
SCHEMBL17239511 0.82 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL8704331 0.82 SLC6A3 (0.50) GABRG2GABRB3GABRA3AXLALB
SCHEMBL13117408 0.81 KMT2A (0.49) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL1788339 0.81 P2RX7 (0.58) NTRK1GABRG2GABRB3GABRA3AXL
SCHEMBL29694130 0.79 SLC6A3 (0.55) GABRG2GABRB3GABRA3AXLSLC6A2
SCHEMBL5234641 0.79 SLC6A3 (0.55) GABRG2GABRB3GABRA3AXLSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140298-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Inc. (US) 2017-03-15 EP disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 WO disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 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-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 NTRK1 8/4885GABRG2 1730/4885GABRB3 1050/4885

“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.