SCHEMBL18238797

SCHEMBL18238797

CC(C)c1ccn2cccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.35
RAB9A P51151 10/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 5/20 0.33
PKM P14618 2/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.32
HTR4 Q13639 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GFER P55789 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2624378 0.78 RAB9A (0.49) NPC1RAB9APTGS1PTGS2KDM4E
SCHEMBL18238705 0.73 IDO1 (0.36)
SCHEMBL19153502 0.72 NPC1 (0.37) NPC1RAB9APTGS1PTGS2KDM4E
SCHEMBL23055258 0.72 USP7 (0.35) NPC1RAB9APTGS1PTGS2KDM4E
SCHEMBL13086438 0.72 SMN1; SMN2 (0.36) NPC1RAB9AKDM4EPKMPOLB
SCHEMBL19130966 0.71 PTGS1 (0.33) NPC1RAB9APTGS1PTGS2KDM4E
SCHEMBL7709847 0.71 DYRK1A (0.44)
SCHEMBL13086589 0.69 KDM5B (0.32) ALDH1A1
SCHEMBL18238520 0.69 CYP11B2 (0.33)
SCHEMBL18238799 0.69 PTGS1 (0.33) NPC1RAB9APTGS1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
WO-2024059249-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-03-21 WO disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 US disclosed
WO-2023125841-A1 HETEROCYCLIC COMPOUND AS POLθ INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-07-06 WO disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT NPC1 577/4885RAB9A 1610/4885PTGS1 4630/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK NPC1 3861/4885RAB9A 3141/4885PTGS1 499/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT NPC1 577/4885RAB9A 1610/4885PTGS1 4630/4885
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 NPC1 1731/4885RAB9A 1859/4885PTGS1 1310/4885

“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.