Sugi Predict

Sugi Predict / Compounds / SCHEMBL17837846

SCHEMBL17837846

SCHEMBL17837846

Cc1ccnc2c1c(C1CCN(C(=O)OC(C)(C)C)CC1)nn2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ GPR119 Q8TDV5 6/20 0.39
▸ FAAH O00519 1/20 0.39
▸ WNT3A P56704 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38

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
SCHEMBL17837585 0.90 ALDH1A1 (0.40) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL17844426 0.88 KLKB1 (0.34) MAPTKMT2A
SCHEMBL17838312 0.85 CNR1 (0.43) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL20135368 0.82 CNR1 (0.41) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL17837729 0.80 GRM1 (0.44) GPR119WNT3A
SCHEMBL29900927 0.79 CNR1 (0.43) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL20135506 0.79 CNR1 (0.41) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL17844574 0.78 CHRM4 (0.35) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20134963 0.78 CNR1 (0.41) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL29688849 0.78 CNR1 (0.41) HPGDKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 — — EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — 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 (1 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK HPGD 4457/4885KDM4E 2150/4885ALDH1A1 4703/4885

“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.