SCHEMBL3089963

SCHEMBL3089963

[CH2]C(C)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 1/20 0.46
NCF1 P14598 3/20 0.45
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.41
PRNP P04156 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MAPK10 P53779 1/20 0.41
HPGD P15428 2/20 0.39

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
SCHEMBL827081 0.83 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10NCF1NOS2
Bromide SCHEMBL29161153 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL18426840 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL19133198 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL19557531 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL12915337 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL4064465 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL20559366 0.79 NCF1 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL20746476 0.79 NCF1 (0.43) CYP1A2ALDH1A1HSD17B10NCF1NOS2
SCHEMBL1261380 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10NCF1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556759-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2023-11-29 EP disclosed
EP-3415516-B1 HAPTENS OF RISPERIDONE AND PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2021-12-15 EP disclosed
EP-3305784-B1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2020-08-12 EP disclosed
CN-107266432-B Quetiapine haptens for immunoassays 詹森药业有限公司 2020-05-12 CN disclosed
EP-3556759-A1 HAPTENS OF PALIPERIDONE Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
EP-2888258-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed
EP-3415516-A1 HAPTENS OF RISPERIDONE AND PALIPERIDONE Janssen Pharmaceutica NV (BE) 2018-12-19 EP disclosed
EP-2888263-B1 HAPTENS OF RISPERIDONE AND PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2018-05-09 EP disclosed
EP-3305784-A1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS Janssen Pharmaceutica NV (BE) 2018-04-11 EP disclosed
EP-2888257-B1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2017-08-02 EP disclosed
WO-2006047504-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
WO-2006036883-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
US-20050131022-A1 C-fms kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US disclosed
US-20050113566-A1 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US disclosed
US-20050049274-A1 Quinolinone derivatives as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
WO-2005009967-A2 QUINOLINONE DERIVATIVES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 WO disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 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 (5 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-20050131022-A1 C-fms kinase inhibitors FLT3, FES, FGR CYP1A2 3681/4885ALDH1A1 4568/4885HSD17B10 4646/4885
US-20050049274-A1 Quinolinone derivatives as inhibitors of c-fms kinase FLT3, ABL1, FES CYP1A2 1873/4885ALDH1A1 4098/4885HSD17B10 4321/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER CYP1A2 3555/4885ALDH1A1 4574/4885HSD17B10 4643/4885
US-20050113566-A1 Inhibitors of C-FMS kinase ALK, TYRO3, PDGFRB CYP1A2 1876/4885ALDH1A1 2507/4885HSD17B10 2780/4885
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors TIE1, KDR, FLT1 CYP1A2 922/4885ALDH1A1 462/4885HSD17B10 4264/4885

“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.