SCHEMBL18539335

SCHEMBL18539335

CCNC[C@@H](NN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.46
LMNA P02545 2/20 0.45
HIF1A Q16665 1/20 0.45
GALR3 O60755 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42
HTT P42858 1/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
DPP4 P27487 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL18539219 0.85 AOC3 (0.45) AOC3LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL21469100 0.82 ALDH1A1 (0.46) AOC3LMNAHIF1AGALR3KDM4E
SCHEMBL18539395 0.82 GRIN1 (0.47) AOC3LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL18539218 0.80 TAAR1 (0.53) AOC3LMNAHIF1AKDM4EL3MBTL1
SCHEMBL18539181 0.79 LMNA (0.52) AOC3LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL7485168 0.79 LMNA (0.52) AOC3LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL18539271 0.79 LMNA (0.52) AOC3LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL18539242 0.79 LMNA (0.50) AOC3LMNAKDM4EL3MBTL1
SCHEMBL27914667 0.79 MAPT (0.47) LMNAHIF1AGALR3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL3963116 0.78 LMNA (0.50) AOC3LMNAKDM4EALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 US disclosed
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-06-27 US disclosed
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 US disclosed
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 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-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 AOC3 4403/4885LMNA 2710/4885HIF1A 2518/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 AOC3 4415/4885LMNA 2756/4885HIF1A 2553/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 AOC3 4415/4885LMNA 2756/4885HIF1A 2553/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 AOC3 4415/4885LMNA 2756/4885HIF1A 2553/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 AOC3 4415/4885LMNA 2756/4885HIF1A 2553/4885

“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.