SCHEMBL18539396

SCHEMBL18539396

CCCCNC[C@@H](N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
GBA1 P04062 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40
NAAA Q02083 2/20 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
SCHEMBL17091541 1.00 GRIN1 (0.50) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL17091537 0.89 GBA1 (0.46) GRIN1GRIN2AGBA1KDM4E
SCHEMBL18539220 0.89 GBA1 (0.46) GRIN1GRIN2AGBA1KDM4E
SCHEMBL11879789 0.81 GBA1 (0.49) GBA1KDM4ELMNA
SCHEMBL18539336 0.81 GBA1 (0.49) GBA1KDM4ELMNA
SCHEMBL14163389 0.81 GRIN1 (0.58) GRIN1GRIN2AMAPTGBA1SIGMAR1
SCHEMBL9973173 0.80 GRIN1 (0.72) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL7791795 0.80 TAAR1 (0.53) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL11078092 0.79 GRIN1 (0.47) GRIN1GRIN2AALDH1A1POLBMAPT
SCHEMBL18539395 0.79 GRIN1 (0.47) GRIN1GRIN2AALDH1A1POLBMAPT

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 GRIN1 3082/4885GRIN2A 3597/4885ALDH1A1 3081/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GRIN1 3077/4885GRIN2A 3594/4885ALDH1A1 3106/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 GRIN1 3077/4885GRIN2A 3594/4885ALDH1A1 3106/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GRIN1 3077/4885GRIN2A 3594/4885ALDH1A1 3106/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 GRIN1 3077/4885GRIN2A 3594/4885ALDH1A1 3106/4885

“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.