SCHEMBL1900631

SCHEMBL1900631

O=C(O)Nc1ccc(CO)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.41
▸ P4HTM Q9NXG6 4/20 0.40
▸ KCNQ3 O43525 2/20 0.39
▸ KCNQ2 O43526 2/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TLR8 Q9NR97 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
SCHEMBL16246131 0.86 TRPV1 (0.39) P4HTMKCNQ3KCNQ2KMT2AMEN1
SCHEMBL15884251 0.84 SMN1; SMN2 (0.47) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL16881120 0.84 P4HTM (0.39) P4HTMKCNQ3KCNQ2KMT2AMEN1
SCHEMBL16246243 0.81 DDX3X (0.38) P4HTMKCNQ3KCNQ2KMT2AMEN1
SCHEMBL16423725 0.81 NAMPT (0.39) P4HTMKCNQ3KCNQ2KMT2AMEN1
SCHEMBL28292574 0.78 P4HTM (0.41) P4HTMKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14659919 0.78 ALDH1A1 (0.54) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL28813012 0.77 TRPV1 (0.41) P4HTMTRPV1HSD17B10
SCHEMBL17060912 0.76 P4HTM (0.37) P4HTMKCNQ3KCNQ2KMT2AMEN1
SCHEMBL17239852 0.76 HRH3 (0.46) PDE7AKDM4ETRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP claimed
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 — — US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2023-01-12 — — US disclosed
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 — — US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3318565-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2021-04-14 — — EP disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 — — US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 — — EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 — — US disclosed
EP-2681196-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2015-09-09 — — EP disclosed
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. 2015-06-11 — — US disclosed
WO-2015083028-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2015-06-11 — — WO disclosed
EP-2681196-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation (US) 2014-01-08 — — EP disclosed
WO-2012121973-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation (US) 2012-09-13 — — WO disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 — — EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (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-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS PDE7A 821/4885P4HTM 3143/4885KCNQ3 3120/4885
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 PDE7A 259/4885P4HTM 1903/4885KCNQ3 2752/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 PDE7A 3012/4885P4HTM 638/4885KCNQ3 1744/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS PDE7A 821/4885P4HTM 3143/4885KCNQ3 3120/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN PDE7A 4652/4885P4HTM 3406/4885KCNQ3 2547/4885
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 PDE7A 648/4885P4HTM 1579/4885KCNQ3 2540/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 PDE7A 1173/4885P4HTM 1036/4885KCNQ3 2751/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 PDE7A 3012/4885P4HTM 638/4885KCNQ3 1744/4885

“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.

Send feedback