SCHEMBL473416

SCHEMBL473416

Cc1nnnn1C[C@@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HTR2A P28223 13/20 0.35
HTR2C P28335 13/20 0.35
HTR2B P41595 7/20 0.35
P2RX7 Q99572 1/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR4 Q13639 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3998076 1.00 MAPK1 (0.41) MAPK1HTR2AHTR2CHTR2BP2RX7
Hydrochloric Acid SCHEMBL3069466 0.98 MAPK1 (0.40) MAPK1HTR2AHTR2CHTR2BP2RX7
SCHEMBL4410876 0.83 MAPK1 (0.43) MAPK1P2RX7LMNAKMT2ACYP1A2
SCHEMBL6110896 0.71 IDE (0.41) MAPK1P2RX7LMNAKMT2ACYP1A2
SCHEMBL22906071 0.71 MAPK1 (0.45) MAPK1P2RX7
SCHEMBL19237117 0.70
SCHEMBL16522425 0.67 P2RX7 (0.46) MAPK1P2RX7LMNAKMT2AGAA
SCHEMBL11110518 0.65
SCHEMBL12764087 0.65 CYP1A2 (0.48) LMNAKMT2ACYP1A2GAACNR2
SCHEMBL15186990 0.65

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-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
WO-2009038752-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 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-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 MAPK1 2092/4885HTR2A 130/4885HTR2C 204/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 MAPK1 3/4885HTR2A 3757/4885HTR2C 2921/4885

“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.