SCHEMBL16206880

SCHEMBL16206880

NC(=O)c1nc(Br)c(N[C@@H]2CCNC2)nc1Nc1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.49
▸ RET P07949 12/20 0.47
▸ ROS1 P08922 12/20 0.47
▸ FLT3 P36888 12/20 0.47
▸ EML4 Q9HC35 9/20 0.47
▸ ALK Q9UM73 9/20 0.47
▸ SYK P43405 3/20 0.45

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
SCHEMBL16206879 0.90 BTK (0.51) BTKRETROS1FLT3EML4
SCHEMBL16196208 0.85 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL18251081 0.84 PRKCI (0.39) BTKSYK
SCHEMBL16206881 0.79 BTK (0.55) BTKRETROS1FLT3EML4
SCHEMBL16206803 0.78 EML4 (0.77) RETROS1FLT3EML4ALK
SCHEMBL16206894 0.78 RET (0.67) RETROS1FLT3EML4ALK
SCHEMBL16195876 0.77 EML4 (0.60) BTKRETROS1FLT3EML4
SCHEMBL16206884 0.75 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL16206872 0.74 RET (0.79) RETROS1FLT3EML4ALK
SCHEMBL16206897 0.73 RET (0.61) RETROS1FLT3EML4ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 — — US disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 — — 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-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND EGFR, ERBB2, ALK BTK 95/4885RET 6/4885ROS1 25/4885

“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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