Sugi Predict

Sugi Predict / Compounds / SCHEMBL18210332

SCHEMBL18210332

SCHEMBL18210332

CC(O[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL29936436 0.86 NAMPT (0.46) KMT2AMEN1LMNA
SCHEMBL20617523 0.86 NAMPT (0.46) KMT2AMEN1LMNA
SCHEMBL20617522 0.86 NAMPT (0.46) KMT2AMEN1LMNA
SCHEMBL20617496 0.86 NAMPT (0.46) KMT2AMEN1LMNA
SCHEMBL29936489 0.86 NAMPT (0.46) KMT2AMEN1LMNA
SCHEMBL21379368 0.75 P4HTM (0.41) KMT2AALDH1A1POLBP4HTMMEN1
SCHEMBL30187560 0.75 P4HTM (0.41) KMT2AALDH1A1POLBP4HTMMEN1
SCHEMBL13633795 0.73 APLNR (0.34) NPC1RAB9AKDM4E
SCHEMBL17785067 0.73 TRPV1 (0.37) KMT2AALDH1A1P4HTMMEN1PABPC1
SCHEMBL21379552 0.73 NTRK1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof PFIZER INC. (US) 2020-07-07 — — US disclosed
US-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2019-01-03 — — US disclosed
EP-3288943-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF Pfizer Inc (US) 2018-03-07 — — EP disclosed
WO-2016178110-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2016-11-10 — — 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 (2 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-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF JAK2, JAK3, JAK1 KMT2A 1997/4885ALDH1A1 949/4885POLB 1056/4885
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof JAK2, JAK3, JAK1 KMT2A 1997/4885ALDH1A1 949/4885POLB 1056/4885

“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.