Sugi Predict

Sugi Predict / Compounds / SCHEMBL13058600

SCHEMBL13058600

SCHEMBL13058600

COc1ncc(F)c(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ BCL6 P41182 2/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ SYK P43405 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.30
▸ FTO Q9C0B1 1/20 0.30

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
SCHEMBL13510193 0.80 P2RX3 (0.38) CYP1A2P2RX3P2RX2ALDH1A1SMN1; SMN2
SCHEMBL29002100 0.80 PTGS2 (0.36) CYP1A2MEN1KMT2ATSHRCYP2C19
SCHEMBL21905028 0.79 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1MEN1GLA
SCHEMBL21030294 0.78 P2RX3 (0.37) CYP1A2P2RX3P2RX2ALDH1A1KMT2A
SCHEMBL13512493 0.78 CYP1A2 (0.36) CYP1A2P2RX3P2RX2CYP3A4ALDH1A1
SCHEMBL21543468 0.77 HASPIN (0.39) CYP1A2P2RX3P2RX2CYP3A4ALDH1A1
SCHEMBL29038138 0.77 GAA (0.37) CYP1A2P2RX3P2RX2ALDH1A1SMN1; SMN2
SCHEMBL14972263 0.74 CYP1A2 (0.45) CYP1A2CYP3A4ALDH1A1MEN1GLA
SCHEMBL2511301 0.74 QPCT (0.39) CYP1A2CYP3A4ALDH1A1MEN1GLA
SCHEMBL22681338 0.74 CYP11B1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 — — US disclosed
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP1A2 1401/4885P2RX3 643/4885P2RX2 781/4885
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 CYP1A2 2249/4885P2RX3 1012/4885P2RX2 1253/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP1A2 1401/4885P2RX3 643/4885P2RX2 781/4885

“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.