Sugi Predict

Sugi Predict / Compounds / SCHEMBL4568238

SCHEMBL4568238

SCHEMBL4568238

COc1cc(NC(=O)C(F)(F)F)c(Br)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NQO2 P16083 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDK1 Q15118 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ PDK3 Q15120 2/20 0.40
▸ PDK4 Q16654 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL6118287 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NQO2MTNR1A
SCHEMBL23885407 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL30254696 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL23885028 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL30254957 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL4568236 0.85 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL30254470 0.85 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL4568245 0.84 HDAC1 (0.41) CYP1A2CYP2C9CYP2C19PDK1PDK2
SCHEMBL23885177 0.84 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL30254571 0.84 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19NPSR1TSHR

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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 — — US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 — — US disclosed
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 — — EP disclosed
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 — — EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — 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 (2 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP1A2 1792/4885CYP2C9 2371/4885CYP2C19 1578/4885
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP CYP1A2 1061/4885CYP2C9 925/4885CYP2C19 256/4885

“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.