SCHEMBL18002155

SCHEMBL18002155

C=CC(=O)Nc1cccc(-c2n[nH]c3cnc(Nc4ccc(N5CCN(CCOC)CC5)c(F)c4)nc23)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.57
▸ JAK3 P52333 6/20 0.55
▸ FGFR2 P21802 3/20 0.52
▸ FGFR1 P11362 3/20 0.52
▸ KDR P35968 3/20 0.52
▸ EGFR P00533 8/20 0.51
▸ ITK Q08881 2/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ LYN P07948 1/20 0.48
▸ TEC P42680 1/20 0.48
▸ TXK P42681 1/20 0.48
▸ BMX P51813 1/20 0.48
▸ CD69 Q07108 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48

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
SCHEMBL18145128 0.92 FGFR2 (0.61) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18002338 0.91 JAK3 (0.63) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001204 0.90 FGFR1 (0.65) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001549 0.90 FGFR2 (0.63) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001867 0.89 FGFR2 (0.55) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001674 0.89 FGFR1 (0.65) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001040 0.89 BTK (0.58) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001888 0.88 FGFR2 (0.54) BTKJAK3FGFR2FGFR1KDR
SCHEMBL18001738 0.88 BTK (0.58) BTKJAK3FGFR2FGFR1KDR
SCHEMBL16514050 0.87 FGFR2 (0.68) BTKJAK3FGFR2FGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 — — US claimed
EP-3270694-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2018-01-24 — — EP claimed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 — — US claimed
WO-2016133935-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2016-08-25 — — WO claimed
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 — — US disclosed
US-10947201-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2021-03-16 — — US disclosed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 — — 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 (3 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-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885FGFR2 365/4885
US-10947201-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885FGFR2 365/4885
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885FGFR2 365/4885

“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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