SCHEMBL15980669

SCHEMBL15980669

Cc1nc(C(C)C)ccc1-c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
RPS6KA3 P51812 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 1/20 0.43
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
DRD3 P35462 2/20 0.43
HTR6 P50406 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
AGXT P21549 1/20 0.41
DHFR P00374 1/20 0.41
MET P08581 1/20 0.41
LCK P06239 2/20 0.41
HCK P08631 1/20 0.41

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
SCHEMBL15984813 0.84 ADRA2C (0.49) ADRA2CRPS6KA3KDM4ENPC1RAB9A
SCHEMBL15980668 0.84 KDM4E (0.44) ADRA2CRPS6KA3KDM4ENPC1RAB9A
SCHEMBL15980675 0.78 GRM5 (0.34) KDM4ENPC1RAB9A
SCHEMBL20203393 0.72 CDK4 (0.43) ADRA2CKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL26378183 0.72 ADRA2C (0.53) ADRA2CHTR3AHTR2CHTR2ADRD3
SCHEMBL15980657 0.71 PSMB5 (0.42) KDM4EADORA2AADORA1
SCHEMBL30108214 0.70 HTR1A (0.64) ADRA2CSMN1; SMN2HTR3AHTR2CHTR1A
Ammonia Solution, Strong SCHEMBL5740005 0.69 ADRA2C (0.50) ADRA2CRPS6KA3HTR3AHTR1AHTR7
SCHEMBL24061149 0.69 ADRA2C (0.57) ADRA2CHTR3AHTR2CHTR1AHTR7
SCHEMBL3580409 0.69 ADRA2C (0.54) ADRA2CRPS6KA3KDM4EHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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 (1 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK ADRA2C 2949/4885RPS6KA3 638/4885KDM4E 472/4885

“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.