SCHEMBL4568236

SCHEMBL4568236

COc1cc(NC(=O)C(F)(F)F)c(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
P2RX7 Q99572 4/20 0.46
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30254470 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19P2RX7NPSR1
SCHEMBL4568239 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19P2RX7NPSR1
SCHEMBL23885407 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19P2RX7NPSR1
SCHEMBL30254696 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19P2RX7NPSR1
SCHEMBL30254957 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL23885028 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL4568238 0.85 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1TSHR
SCHEMBL4568249 0.85 GAA (0.43) CYP1A2CYP2C9CYP2C19TSHRMEN1
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 8 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
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
CN-115427044-A Pyrrolopyrimidines as complement inhibitors 拜奥克里斯特制药公司 2022-12-02 CN disclosed
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 WO 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.