SCHEMBL1663588

SCHEMBL1663588

N#Cc1ncccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 6/20 0.55
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAPRT Q6XQN6 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PLCG1 P19174 1/20 0.46
DHODH Q02127 2/20 0.46
MYC P01106 1/20 0.45
ELANE P08246 1/20 0.43
ALOX12 P18054 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10402120 0.98 KDM4E (0.55) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL10567562 0.87 KDM4E (0.47) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL10567569 0.87 KDM4E (0.47) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL10632437 0.83 PLCG1 (0.45) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL9596105 0.83 PARP1 (0.56) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL2961058 0.83 PLCG1 (0.49) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL2718276 0.83 PARP1 (0.56) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL8833877 0.82 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
Potassium Ion SCHEMBL10402119 0.81 PLCG1 (0.44) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
Benzene SCHEMBL7527131 0.81 KDM4E (0.57) KDM4ETDP1ALDH1A1ALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508945-A Preparation method of 2-chloro-4-methyl nicotinonitrile BIOTALK CO LTD 2014-01-15 CN claimed
US-20250092040-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2025-03-20 US disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 US disclosed
US-20230192611-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108200760-A BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS 英安塔制药有限公司 2018-06-22 CN disclosed
CN-102007125-B fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2016-05-25 CN disclosed
CN-105017151-A Carbostyril compound OTSUKA PHARMA CO LTD 2015-11-04 CN disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
CN-1913898-A Substituted piperazines CHEMOCENTRYX INC (US) 2007-02-14 CN disclosed
EP-0429372-A1 2-Azolyl nicotinate derivatives as herbicides RHONE-POULENC AGROCHIMIE (FR) 1991-05-29 EP disclosed
US-4851396-A Fungicidal compositions based on nicotinic acid derivatives, new nicotinic acid derivatives and preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1989-07-25 US disclosed
US-4080336-A Process for the production of 2-chloronicotinic acid amide LONZA LTD. (CH) 1978-03-21 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 (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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885TDP1 1721/4885ALDH1A1 4692/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 KDM4E 2465/4885TDP1 1331/4885ALDH1A1 1380/4885
US-20230192611-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB KDM4E 2311/4885TDP1 4074/4885ALDH1A1 1650/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R KDM4E 1848/4885TDP1 4766/4885ALDH1A1 2265/4885
US-20250092040-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885TDP1 1721/4885ALDH1A1 4692/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 KDM4E 2376/4885TDP1 1721/4885ALDH1A1 4692/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885TDP1 1721/4885ALDH1A1 4692/4885

“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.