Sugi Predict

Sugi Predict / Compounds / SCHEMBL16072005

SCHEMBL16072005

SCHEMBL16072005

COc1cc(NCc2cnc(Cl)nc2Cl)c(Cl)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ LMNA P02545 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
SCHEMBL16071787 0.88 DHFR (0.39) DHFRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL16071563 0.82 TRPM8 (0.39) DHFRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30261950 0.82 ALDH1A1 (0.41) DHFRALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL16071483 0.80 DHFR (0.50) DHFRALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3970876 0.78 HTT (0.45) DHFRALDH1A1KDM4EMEN1KMT2A
SCHEMBL5744907 0.77 GAA (0.45) DHFRALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL3970879 0.76 HTT (0.38) DHFRALDH1A1MEN1MAPTKMT2A
SCHEMBL16072324 0.75 DHFR (0.37) DHFRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4692835 0.75 MAPT (0.45) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL30262072 0.74 ALDH1A1 (0.39) DHFRALDH1A1KDM4ESMN1; SMN2MEN1

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
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 — — US disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 — — EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 — — EP disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — US disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — US disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — US disclosed
WO-2014144737-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-18 — — 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 (10 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DHFR 835/4885ALDH1A1 3719/4885KDM4E 2472/4885
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DHFR 835/4885ALDH1A1 3719/4885KDM4E 2472/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK DHFR 462/4885ALDH1A1 3786/4885KDM4E 1281/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DHFR 147/4885ALDH1A1 684/4885KDM4E 3792/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DHFR 835/4885ALDH1A1 3719/4885KDM4E 2472/4885

“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.