SCHEMBL4778401

SCHEMBL4778401

[c]1nc2ccccc2cc1-c1ncc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
MGAM O43451 1/20 0.37
KDM4E B2RXH2 2/20 0.35
GPR3 P46089 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
HTR3A P46098 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL1385432 0.81 ALDH1A1 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL19953245 0.78 ALDH1A1 (0.36) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL302153 0.78 EGFR (0.40) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL30198446 0.75 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL1672650 0.75 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL30527184 0.75 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL692107 0.75 CYP1A2 (0.45) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL6948594 0.75 PDGFRB (0.53) CYP1A2ALDH1A1MAPTMGAMPDGFRB
SCHEMBL3856054 0.74 ALDH1A1 (0.34) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL2659111 0.73 NPC1 (0.44) CYP1A2ALDH1A1MAPTHPGDKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US claimed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO claimed
US-20080004288-A1 Indazole Sulphonamide Derivatives ASTRAZENECA AB (SE) 2008-01-03 US claimed
EP-1814863-A1 INDAZOLE SULPHONAMIDE DERIVATIVES AstraZeneca AB (SE) 2007-08-08 EP claimed
WO-2006052190-A1 INDAZOLE SULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-18 WO claimed
CN-117295737-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-12-26 CN disclosed
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 CN disclosed
EP-3116486-A2 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Capon, Daniel J. (US) 2017-01-18 EP disclosed
WO-2015138907-A2 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE CAPON DANIEL J (US) 2015-09-17 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
US-20080004288-A1 Indazole Sulphonamide Derivatives ASTRAZENECA AB (SE) 2008-01-03 US disclosed
EP-1814863-A1 INDAZOLE SULPHONAMIDE DERIVATIVES AstraZeneca AB (SE) 2007-08-08 EP disclosed
WO-2006052190-A1 INDAZOLE SULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-18 WO disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 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 (2 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-20080004288-A1 Indazole Sulphonamide Derivatives SULT2A1, SULT1E1, SULT1A1 CYP1A2 246/4885ALDH1A1 745/4885MAPT 3758/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CYP1A2 452/4885ALDH1A1 852/4885MAPT 4184/4885

“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.