Sugi Predict

Sugi Predict / Compounds / SCHEMBL17522202

SCHEMBL17522202

SCHEMBL17522202

CCOc1cc(OC)cc(C(C)C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 2/20 0.40
▸ ELANE P08246 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ AHR P35869 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ENPP1 P22413 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
SCHEMBL16133969 0.85 CYP2D6 (0.41) MEN1KMT2ATHRBRORCADRA2A
SCHEMBL16072317 0.79 ELANE (0.42) CALM1ELANECYP3A4MEN1KMT2A
SCHEMBL19363849 0.77 CALM1 (0.41) CALM1ELANECYP1A2MEN1KMT2A
SCHEMBL21166499 0.76 CYP2D6 (0.37) MEN1KMT2AADRA2AADRA1AADRB2
SCHEMBL17522141 0.74 FKBP1A (0.45) ELANECYP3A4L3MBTL1THRBRORC
SCHEMBL17522203 0.74 POLB (0.40) CALM1CYP1A2CYP3A4CYP2C19THRB
SCHEMBL21166545 0.73 TAS1R3 (0.35) MEN1KMT2ATHRBRORCADRA2A
SCHEMBL16133966 0.72 TSHR (0.37) CYP1A2CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL24938248 0.68 CYP1A2 (0.46) CYP1A2CYP3A4ABCB1ADRA2AADRA1A
SCHEMBL19122094 0.68 POLB (0.43) CYP1A2CYP3A4MEN1KMT2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — 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-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CALM1 1321/4885ELANE 3759/4885CYP1A2 3803/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CALM1 1321/4885ELANE 3759/4885CYP1A2 3803/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK CALM1 1205/4885ELANE 4822/4885CYP1A2 3207/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CALM1 1321/4885ELANE 3759/4885CYP1A2 3803/4885

“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.