SCHEMBL5564049

SCHEMBL5564049

NNc1ccc2[nH]ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.60
ROCK2 O75116 6/20 0.58
ROCK1 Q13464 5/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPKAPK2 P49137 1/20 0.55
MAPK1 P28482 1/20 0.54
NOS1 P29475 3/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
NPC1 O15118 2/20 0.53
JAK2 O60674 1/20 0.53

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
Hydrochloric Acid SCHEMBL2082481 0.98 MKNK1 (0.59) MKNK1ROCK2ROCK1RAB9AKDM4E
Hydrochloric Acid SCHEMBL2083483 0.83 ALDH1A1 (0.60) RAB9AKDM4EMEN1ALDH1A1GAA
SCHEMBL2569041 0.81 ROCK2 (0.63) MKNK1ROCK2ROCK1RAB9AKDM4E
SCHEMBL20905260 0.81 ROCK2 (0.58) MKNK1ROCK2ROCK1RAB9AKDM4E
SCHEMBL7572076 0.78 ROCK2 (0.55) MKNK1ROCK2ROCK1RAB9AKDM4E
SCHEMBL5823137 0.78 ROCK2 (0.63) ROCK2ROCK1RAB9AKDM4EALDH1A1
SCHEMBL10310329 0.78 ROCK2 (0.63) ROCK2ROCK1RAB9AMEN1ALDH1A1
SCHEMBL30933139 0.78 ROCK2 (0.72) ROCK2ROCK1RAB9AMEN1ALDH1A1
SCHEMBL5225654 0.78 ROCK2 (0.72) ROCK2ROCK1RAB9AMEN1ALDH1A1
SCHEMBL12257075 0.77 JAK2 (0.60) MKNK1ROCK2ROCK1RAB9AMEN1

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 11 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
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-7186710-B2 Phthalazinones ALTANA PHARMA AG (DE) 2007-03-06 US disclosed
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders ALTANA PHARMA AG (DE) 2004-07-01 US disclosed
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO 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 (6 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 MKNK1 32/4885ROCK2 745/4885ROCK1 609/4885
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders PDE4A, PDE4B, PDE7B MKNK1 4324/4885ROCK2 598/4885ROCK1 289/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 MKNK1 32/4885ROCK2 745/4885ROCK1 613/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 MKNK1 32/4885ROCK2 745/4885ROCK1 613/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 MKNK1 32/4885ROCK2 745/4885ROCK1 613/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 MKNK1 32/4885ROCK2 745/4885ROCK1 613/4885

“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.