SCHEMBL19684587

SCHEMBL19684587

Cc1cc(C#N)cc2c1CNCC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
PRMT5 O14744 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CD44 P16070 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL7645609 0.86 PNMT (0.53) PNMTDRD2DRD3HTR2AHTR2C
SCHEMBL24265339 0.81 PNMT (0.54) PNMTDRD2DRD3PRMT5HTR2A
SCHEMBL19678855 0.79 PNMT (0.49) PNMTDRD2DRD3PRMT5HTR2A
SCHEMBL19684575 0.78 PNMT (0.47) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL23735310 0.77 PNMT (0.46) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL22549231 0.76 PNMT (0.45) PNMTDRD2DRD3HTR2AHTR2C
SCHEMBL19684576 0.75 PNMT (0.53) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL19684582 0.75 PNMT (0.44) PNMTHTR2AHTR2CADRA2AADRA2B
SCHEMBL15503204 0.75 PNMT (0.49) PNMTDRD2HTR2BADRA2AADRA2B
SCHEMBL19684577 0.75 PNMT (0.50) PNMTPRMT5HTR2AHTR2CHTR2B

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-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
WO-2017213825-A1 TREATMENT METHODS HAVING REDUCED DRUG-RELATED TOXICITY AND METHODS OF IDENTIFYING THE LIKELIHOOD OF PATIENT HARM FROM PRESCRIBED MEDICATIONS TABULA RASA HEALTHCARE, INC. (US) 2017-12-14 WO disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PNMT 2003/4885DRD2 3868/4885DRD3 3470/4885

“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.