SCHEMBL15345110

SCHEMBL15345110

Cc1c2c(nn1C)CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
HTR6 P50406 1/20 0.36
CYP1A2 P05177 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CHRM3 P20309 2/20 0.34
CYP2D6 P10635 1/20 0.34
F12 P00748 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL22993444 0.84 CYP2C19 (0.37) CYP2C19CYP1A2POLBGAACHRM3
SCHEMBL14971259 0.81 POLB (0.34) CYP1A2POLBGAAMAPTTDP1
SCHEMBL15946789 0.78 POLB (0.33) CYP1A2POLBGAAMAPTTDP1
SCHEMBL22993451 0.76 CYP2C19 (0.41) CYP2C19CYP1A2POLBGAACHRM3
SCHEMBL14964713 0.75 POLB (0.41) POLBGAAF12ALDH1A1MAPT
SCHEMBL14964802 0.73 DRD2 (0.37)
SCHEMBL13160725 0.72 POLB (0.53) CYP1A2POLBGAAALDH1A1HPGD
SCHEMBL13684197 0.72 POLB (0.59) CYP1A2POLBGAAALDH1A1HPGD
SCHEMBL24253310 0.72 CYP2C19 (0.38) CYP2C19CYP1A2POLBGAACHRM3
SCHEMBL15694019 0.71 POLB (0.57) CYP2C19CYP1A2POLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
EP-3630775-B1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX INC (US) 2022-12-14 EP disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
WO-2017026516-A1 ISOTHIAZOLE DERIVATIVE 持田製薬株式会社 2017-02-16 WO disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (4 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 CYP2C19 3464/4885HTR6 1786/4885CYP1A2 3130/4885
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 CYP2C19 1554/4885HTR6 268/4885CYP1A2 2821/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP2C19 383/4885HTR6 1983/4885CYP1A2 807/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP2C19 383/4885HTR6 1983/4885CYP1A2 807/4885

“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.