SCHEMBL2912426

SCHEMBL2912426

CC(C)CN(C)c1ccc2c(n1)CCNC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 3/20 0.36
CYP3A4 P08684 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
OGA O60502 2/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK6 Q00534 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL2907934 0.83 HTR2C (0.42) HTR2CHTR2BHTR2ACYP3A4POLB
SCHEMBL2912736 0.82 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4POLB
Hydrochloric Acid SCHEMBL2905245 0.81 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4POLB
SCHEMBL16210108 0.81 CYP3A4 (0.41) HTR2CCYP3A4POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2908620 0.80 CYP3A4 (0.37) HTR2CHTR2BHTR2ACYP3A4CDK4
SCHEMBL13090227 0.80 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4OGA
SCHEMBL13090224 0.80 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4OGA
Hydrochloric Acid SCHEMBL2907881 0.79 CYP3A4 (0.40) HTR2CCYP3A4POLBSMN1; SMN2
Bromide SCHEMBL2910613 0.78 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4OGA
Bromide SCHEMBL2912242 0.78 HTR2C (0.36) HTR2CHTR2BHTR2ACYP3A4OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C HTR2C 1/4885HTR2B 7/4885HTR2A 9/4885

“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.