SCHEMBL222289

SCHEMBL222289

Cc1cc(C(=O)O)nn1C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.63
KDM4E B2RXH2 6/20 0.48
GAA P10253 4/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
NR2E1 Q9Y466 1/20 0.47
ALDH1A1 P00352 4/20 0.44
APOBEC3A P31941 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
DAO P14920 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
HTR2A P28223 1/20 0.40
NOTUM Q6P988 2/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL27787704 0.84 BAZ2B (0.66) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL357627 0.83 BAZ2B (0.63) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL1080282 0.81 BAZ2B (0.61) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL1555279 0.81 BAZ2B (0.61) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL193910 0.81 BAZ2B (0.61) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL6994851 0.80 BAZ2B (0.71) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL15964702 0.80 BAZ2B (0.44) BAZ2B
SCHEMBL12740599 0.79 HCAR2 (0.43) BAZ2BKDM4EGAARAB9AKMT2A
Hydrochloric Acid SCHEMBL3491832 0.79 BAZ2B (0.59) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL19143370 0.78 BAZ2B (0.53) BAZ2BKDM4EGAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
CN-111108109-A Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors 利奥制药有限公司 2020-05-05 CN claimed
CN-110099905-A SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-06 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20050113548-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2005-05-26 US claimed
US-6894138-B1 Blocked polyisocyanate BAYER MATERIALSCIENCE LLC (US) 2005-05-17 US claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
EP-1299356-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-11 EP claimed
CN-1447794-A Novel compounds ASTRAZENECA AB (SE) 2003-10-08 CN claimed
US-20030153555-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-14 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 BAZ2B 3691/4885KDM4E 2857/4885GAA 612/4885
US-20030153555-A1 Novel compounds RPS4Y1, RPS4X, UGT2B7 BAZ2B 3376/4885KDM4E 1665/4885GAA 1042/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A BAZ2B 3789/4885KDM4E 2520/4885GAA 1403/4885
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 BAZ2B 2188/4885KDM4E 1192/4885GAA 2510/4885
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 BAZ2B 3037/4885KDM4E 2032/4885GAA 1239/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 BAZ2B 3691/4885KDM4E 2857/4885GAA 612/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 BAZ2B 421/4885KDM4E 2102/4885GAA 23/4885

“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.