SCHEMBL20995693

SCHEMBL20995693

NC(=O)C(=Cc1ncccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.43
CYP2C19 P33261 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 4/20 0.42
NQO2 P16083 1/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
MITF O75030 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL23593943 0.77 AKR1C1 (0.70) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL6689798 0.77 AKR1C1 (0.70) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL2836206 0.77 AKR1C1 (0.70) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL16102105 0.77 PDE10A (0.40) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL3652893 0.76 GCK (0.48) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL21682467 0.75 NPC1 (0.40) AKR1C1CYP2C19TDP1POLBMAPT
SCHEMBL5014082 0.74 NPC1 (0.38) AKR1C1MAPTNPC1RAB9ACDK5
SCHEMBL16180696 0.73 CYP11B2 (0.61) AKR1C1CYP2C19MAPTCYP3A4KMT2A
SCHEMBL5257618 0.73 KMT2A (0.54) KMT2A
SCHEMBL5257623 0.73 KMT2A (0.54) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4643954-A2 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2025-11-05 EP disclosed
US-12227498-B2 Heterocyclic amine derivative and pharmaceutical composition comprising same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-02-18 US disclosed
CN-115151537-B Process for preparing heterocyclic amine derivatives 株式会社大熊制药 2024-09-06 CN disclosed
CN-112638910-B New heterocyclic amine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2024-06-11 CN disclosed
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 EP disclosed
US-20230094404-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-30 US disclosed
EP-4112617-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES Daewoong Pharmaceutical Co., Ltd. (KR) 2023-01-04 EP disclosed
CN-115151537-A Process for preparing heterocyclic amine derivatives 株式会社大熊制药 2022-10-04 CN disclosed
CN-111212833-B Phenylpyridine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2022-09-06 CN disclosed
EP-3696176-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAE WOONG PHARMA (KR) 2022-05-04 EP disclosed
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-10-19 US disclosed
EP-3845530-A1 NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2021-07-07 EP disclosed
CN-109153680-B 4-aminopyrazolo [3,4-d ] pyrimidinylazabicyclo derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2021-04-23 CN disclosed
CN-112638910-A Novel heterocyclic amine derivatives and pharmaceutical compositions comprising the same 株式会社大熊制药 2021-04-09 CN disclosed
EP-3696176-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-08-19 EP disclosed
US-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-07-16 US disclosed
CN-111212833-A Novel phenylpyridine derivative and pharmaceutical composition comprising same 株式会社大熊制药 2020-05-29 CN disclosed
CN-110914266-A Novel 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same 株式会社大熊制药 2020-03-24 CN disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 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 (6 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-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same ITK, BTK, TYK2 AKR1C1 3823/4885CYP2C19 1754/4885TDP1 916/4885
US-20230094404-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES HNMT, MAOB, PNMT AKR1C1 3261/4885CYP2C19 120/4885TDP1 429/4885
US-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same PDCD1, PDCD5, PDCD11 AKR1C1 1562/4885CYP2C19 976/4885TDP1 33/4885
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same BTK, ITK, TYK2 AKR1C1 4140/4885CYP2C19 2171/4885TDP1 866/4885
US-12227498-B2 Heterocyclic amine derivative and pharmaceutical composition comprising same H1-5, SSB, H1-2 AKR1C1 564/4885CYP2C19 415/4885TDP1 444/4885
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DPYD, PDCD5, PDCD1 AKR1C1 1515/4885CYP2C19 599/4885TDP1 42/4885

“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.