SCHEMBL972816

SCHEMBL972816

c1ccc(C2=NNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
AXL P30530 1/20 0.44
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
KDR P35968 2/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 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
SCHEMBL6769108 0.87 SMN1; SMN2 (0.48) SMN1; SMN2AXLCHRNB4CHRNA3KDR
Biphenyl SCHEMBL27762344 0.80 MAPK1 (0.49) SMN1; SMN2MAPTKDM4EMAPK1L3MBTL1
SCHEMBL6771534 0.78 HTR2A (0.38) SMN1; SMN2NPC1MAPTRAB9AHTR2C
SCHEMBL17838640 0.78 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL554697 0.78 KDR (0.43) SMN1; SMN2KDRNPC1MAPTRAB9A
SCHEMBL4627244 0.78 HTR2C (0.41) SMN1; SMN2NPC1MAPTRAB9AMAPK1
SCHEMBL6768059 0.78 KDR (0.43) SMN1; SMN2KDRNPC1MAPTRAB9A
SCHEMBL11530124 0.77 CHRNB4 (0.51) SMN1; SMN2CHRNB4CHRNA3NPC1MAPT
SCHEMBL11223071 0.74
SCHEMBL1427690 0.74 MAOB (0.50) LRRK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460301-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES Universität zu Köln (DE) 2024-11-13 EP claimed
WO-2023131576-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES UNIVERSITÄT ZU KÖLN (DE) 2023-07-13 WO claimed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN claimed
CN-1335836-A Tricyclic pyrazole derivatives BASF AG (DE) 2002-02-13 CN claimed
CN-122036691-A 3-Phenyl-1H-pyrazol-5-alcohol spliced indole derivatives, and preparation method and application thereof 遵义医药高等专科学校 2026-05-15 CN disclosed
CN-122036691-A 3-Phenyl-1H-pyrazol-5-alcohol spliced indole derivatives, and preparation method and application thereof 遵义医药高等专科学校 2026-05-15 CN disclosed
CN-122036739-A 3,4' -Pyrano [2,3-c ] pyrazole spiro oxindole derivative, and preparation method and application thereof 遵义医药高等专科学校 2026-05-15 CN disclosed
WO-2024226892-A1 HYDRAZONE 3H-IMIDAZO(4,5-B)PYRIDINE COMPOUNDS AND USES THEREOF Verge Analytics, Inc. (US) 2024-10-31 WO disclosed
US-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications NANTBIO, INC. (US) 2019-08-27 US disclosed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN disclosed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN disclosed
JP-2001261675-A MEDICINE CONTAINING PYRAZOLINE DERIVATIVE OR TETRAHYDROPYRIDAZINE DERIVATIVE MITSUI CHEMICALS INC 2001-09-26 JP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 WO disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 WO disclosed
CN-1015177-B Method for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS (JP) 1991-12-25 CN disclosed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 US disclosed
CN-1033994-A Produce the method for 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS (JP) 1989-07-19 CN disclosed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 EP 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 (1 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-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications TPMT, MKI67, TST SMN1; SMN2 2680/4885AXL 3263/4885CHRNB4 4853/4885

“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.