SCHEMBL6072037

SCHEMBL6072037

CNCc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 4/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 2/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
Hydrochloric Acid SCHEMBL29210672 0.98 KDM4E (0.44) TAAR1MCL1KDM4ECYP3A4MAPT
SCHEMBL14613959 0.87 ACHE (0.44) TAAR1MCL1KDM4ECYP3A4MAPT
SCHEMBL23526016 0.85 EED (0.40) TAAR1MCL1KDM4ECYP3A4MAPT
SCHEMBL29945862 0.85 EED (0.40) TAAR1MCL1KDM4ECYP3A4MAPT
SCHEMBL3935647 0.85 HTT (0.57) TAAR1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL22380064 0.83 GABRA1 (0.48) TAAR1MCL1KDM4ECYP3A4MEN1
SCHEMBL13408002 0.82 KDM1A (0.54) MCL1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14018390 0.82 CD38 (0.43) TAAR1CYP3A4
SCHEMBL31064406 0.79 HTT (0.55) TAAR1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24352490 0.78 ADORA2A (0.39) MCL1KDM4ECYP3A4SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-25 US disclosed
EP-4247789-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2023-09-27 EP disclosed
CN-116529235-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-08-01 CN disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 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 (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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 TAAR1 194/4885MCL1 4177/4885KDM4E 2450/4885
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A TAAR1 529/4885MCL1 4635/4885KDM4E 411/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TAAR1 90/4885MCL1 2936/4885KDM4E 2874/4885
US-20240023549-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 TAAR1 676/4885MCL1 701/4885KDM4E 648/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 TAAR1 4812/4885MCL1 1698/4885KDM4E 1248/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 TAAR1 279/4885MCL1 1494/4885KDM4E 3312/4885

“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.