SCHEMBL174681

SCHEMBL174681

Nc1cc(C2CC2)nn1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SRC P12931 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KCNJ6 P48051 8/20 0.33
▸ KCNJ3 P48549 8/20 0.33
▸ CRACR2A Q9BSW2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ KCNJ5 P48544 4/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL4138174 0.84 NPC1 (0.40) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL5597486 0.78 SRC (0.48) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL173999 0.77 KDM4E (0.41) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL27409551 0.75 GAA (0.42) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL21824339 0.71 HRH4 (0.46) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL6783179 0.71 KDM4E (0.40) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL27157379 0.71 HCAR2 (0.32) HCAR2CRACR2AHDAC3
SCHEMBL21824356 0.70 HRH4 (0.44) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL21824376 0.70 ALDH1A1 (0.44) SMN1; SMN2LMNATP53PKMPOLB
SCHEMBL574082 0.69 NPC1 (0.45) SMN1; SMN2NPC1LMNATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 — — EP claimed
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-05-12 — — US claimed
US-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-02-14 — — US claimed
EP-3424924-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-01-09 — — EP claimed
CN-109071523-A Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2018-12-21 — — CN claimed
CN-107176951-A A kind of carbamide compounds, its preparation method and its medical usage 恩瑞生物医药科技(上海)有限公司 2017-09-19 — — CN claimed
WO-2023203174-A1 HETEROCYCLIC CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF PROXYGEN GMBH (AT) 2023-10-26 — — WO disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 — — EP disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP disclosed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 — — CN disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 — — EP disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 — — WO disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 — — US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 — — WO disclosed
CN-101155800-A Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2008-04-02 — — CN disclosed
CN-101119996-A chemical compound ASTRAZENECA AB (SE) 2008-02-06 — — CN disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 — — EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 — — 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 (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-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FLT3, WEE1, SLC14A1 SMN1; SMN2 4767/4885NPC1 2390/4885LMNA 3939/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 SMN1; SMN2 4767/4885NPC1 2390/4885LMNA 3939/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK SMN1; SMN2 2770/4885NPC1 4832/4885LMNA 2383/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 SMN1; SMN2 3549/4885NPC1 4847/4885LMNA 2651/4885

“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