SCHEMBL4426460

SCHEMBL4426460

CC(=O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.73
FYN P06241 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
MKNK2 Q9HBH9 8/20 0.54
MAP4K4 O95819 2/20 0.54
CSNK1G2 P78368 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
MAP4K5 Q9Y4K4 2/20 0.54
MKNK1 Q9BUB5 6/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2A6 P11509 2/20 0.52
CYP1A2 P05177 1/20 0.52
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL18943256 0.88 KMO (0.60) KMOFYNALDH1A1HTTMEN1
SCHEMBL14621505 0.86 MKNK1 (0.59) KMOFYNALDH1A1HTTMKNK2
SCHEMBL27605046 0.86 KMO (0.77) KMOALDH1A1MEN1MKNK2MKNK1
SCHEMBL17742694 0.84 MKNK2 (0.55) KMOFYNALDH1A1HTTMKNK2
SCHEMBL28297133 0.84 KMO (1.00) KMOALDH1A1MEN1MKNK2MKNK1
SCHEMBL29569537 0.84 KMO (1.00) KMOALDH1A1MEN1MKNK2MKNK1
SCHEMBL206541 0.84 KMO (1.00) KMOALDH1A1MEN1MKNK2MKNK1
SCHEMBL13712389 0.84 CYP11B2 (0.72) KMOMKNK2MKNK1CYP3A4CYP1A2
SCHEMBL10389918 0.83 MAP4K4 (0.59) KMOFYNALDH1A1MEN1KMT2A
SCHEMBL608617 0.83 KMO (0.73) KMOALDH1A1MEN1MKNK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153539-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP 2011-08-17 CN claimed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-10930857-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2021-02-23 US disclosed
US-10784446-B2 Compound, organic electroluminescence element material, organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-09-22 US disclosed
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
WO-2017095157-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 희성소재(주) 2017-06-08 WO disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 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-10930857-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA KMO 825/4885FYN 3804/4885ALDH1A1 1221/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 KMO 3257/4885FYN 1002/4885ALDH1A1 3716/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 KMO 631/4885FYN 701/4885ALDH1A1 2074/4885
US-10784446-B2 Compound, organic electroluminescence element material, organic electroluminescence element and electronic device L1CAM, SOD1, OR10J3 KMO 3975/4885FYN 1900/4885ALDH1A1 1412/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 KMO 3599/4885FYN 1764/4885ALDH1A1 1176/4885
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE L1CAM, SOD1, OR10J3 KMO 3975/4885FYN 1900/4885ALDH1A1 1412/4885

“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.