SCHEMBL13245779

SCHEMBL13245779

Cc1cnc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
COMT P21964 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD11B1 P28845 1/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SSTR4 P31391 1/20 0.32
GAA P10253 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL31018106 1.00 PIK3CD (0.49) PIK3CDCCR1CCR5CCR8NOS3
SCHEMBL15218366 0.81 ALDH1A1 (0.41) PIK3CDCCR1CCR5CCR8NOS3
SCHEMBL2366596 0.78 PIK3CD (0.51) PIK3CDMEN1KMT2AMAPTPDK2
SCHEMBL30400470 0.78 PIK3CD (0.51) PIK3CDMEN1KMT2AMAPTPDK2
SCHEMBL12240479 0.78 CCR1 (0.37) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11189186 0.77 PIK3CD (0.50) PIK3CDALDH1A1NOTUMCYP11B1CYP11B2
SCHEMBL30510548 0.77 PIK3CD (0.50) PIK3CDALDH1A1NOTUMCYP11B1CYP11B2
SCHEMBL30510546 0.77 PIK3CD (0.50) PIK3CDALDH1A1NOTUMCYP11B1CYP11B2
SCHEMBL8408164 0.77 PIK3CD (0.50) PIK3CDMEN1KMT2ATDP1MAPT
SCHEMBL31310688 0.77 PIK3CD (0.50) PIK3CDMEN1KMT2ATDP1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
US-20230035184-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-02-02 US disclosed
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-05-17 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
EP-3873900-A1 IMIDAZOPYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969700-A Imidazopyridine derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 CN disclosed
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-03 US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 US disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
US-8461343-B2 Synthesis of thiohydantoins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-29 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 (8 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-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKAR2B, AKT3, MAP3K11 PIK3CD 208/4885CCR1 4038/4885CCR5 3915/4885
US-20230035184-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR PIK3CD 3620/4885CCR1 1838/4885CCR5 936/4885
US-20100190991-A1 SYNTHESIS OF THIOHYDANTOINS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PIK3CD 4821/4885CCR1 4243/4885CCR5 3546/4885
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR PIK3CD 3620/4885CCR1 1838/4885CCR5 936/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR PIK3CD 413/4885CCR1 1271/4885CCR5 828/4885
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist AR, NR5A1, LHCGR PIK3CD 3620/4885CCR1 1838/4885CCR5 936/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 PIK3CD 2185/4885CCR1 2931/4885CCR5 1269/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR PIK3CD 413/4885CCR1 1271/4885CCR5 828/4885

“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.