SCHEMBL19010307

SCHEMBL19010307

CC(=O)c1nnc(Nc2ccc(C(=O)N(C)C)cc2)cc1NCc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.41
▸ NTRK1 P04629 3/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17021312 0.92 NTRK1 (0.47) PTK2NTRK1CYP1A2CYP3A4ALDH1A1
SCHEMBL19010299 0.89 CDK2 (0.39) NTRK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL19010336 0.87 NTRK1 (0.42) PTK2NTRK1HSD17B10KDM5AKDM4C
SCHEMBL19010330 0.84 PTK2 (0.41) PTK2NTRK1LMNAJAK3FFAR1
SCHEMBL19010334 0.84 NTRK1 (0.42) PTK2NTRK1KDM5AKDM4CKDM5B
SCHEMBL19010311 0.84 NTRK1 (0.51) NTRK1ALDH1A1HPGD
SCHEMBL19010335 0.83 FFAR1 (0.41) PTK2NTRK1KDM5AKDM4CKDM5B
SCHEMBL19010320 0.83 NTRK1 (0.52) NTRK1ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL19010348 0.82 FFAR1 (0.41) PTK2NTRK1SMN1; SMN2KDM5AKDM4C
SCHEMBL19010331 0.82 BRAF (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 PTK2 318/4885NTRK1 1410/4885CYP1A2 878/4885

“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.

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