Sugi Predict

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SCHEMBL5635889

SCHEMBL5635889

C[C@H](Nc1cc(Cl)nc(Cl)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ TBK1 Q9UHD2 2/20 0.38
▸ ESR1 P03372 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ OGG1 O15527 1/20 0.32
▸ HTRA1 Q92743 4/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL5078770 1.00 ATF1 (0.39) ATF1NFKB1TBK1ESR1IDO1
SCHEMBL15381208 0.83 TBK1 (0.43) TBK1HTRA1SCN9AFPR2
SCHEMBL5074950 0.83 TBK1 (0.37) TBK1IDO1SMN1; SMN2ALDH1A1GAA
SCHEMBL5635121 0.83 TBK1 (0.37) TBK1IDO1SMN1; SMN2ALDH1A1GAA
SCHEMBL14238612 0.83 ADORA1 (0.43) TBK1SMN1; SMN2ALDH1A1KDM4ESCN9A
SCHEMBL5075207 0.83 ADORA1 (0.43) TBK1SMN1; SMN2ALDH1A1KDM4ESCN9A
SCHEMBL14236637 0.82 S1PR2 (0.36) ATF1NFKB1TBK1GAAKDM4E
SCHEMBL1719342 0.81 LOXL2 (0.39) TBK1IDO1SMN1; SMN2ALDH1A1GAA
SCHEMBL14853836 0.81 TBK1 (0.37) TBK1IDO1SMN1; SMN2ALDH1A1GAA
SCHEMBL1719347 0.81 LOXL2 (0.39) TBK1IDO1SMN1; SMN2ALDH1A1GAA

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-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 — — EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 — — EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 — — EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 — — EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 — — 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 (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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 ATF1 3080/4885NFKB1 1280/4885TBK1 582/4885

“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.