SCHEMBL4730882

SCHEMBL4730882

CN(C)c1ccccc1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
HTR6 P50406 1/20 0.36
CAMKK2 Q96RR4 1/20 0.35
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 1/20 0.31
HTR7 P34969 3/20 0.31
HTR1A P08908 2/20 0.30

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
SCHEMBL21331779 0.80 HTR6 (0.39) ROCK2HTR6NSD2ALDH1A1EGFR
SCHEMBL30354041 0.79 HTR6 (0.36) ROCK2HTR6NSD2ALDH1A1EGFR
SCHEMBL1048762 0.79 HTR6 (0.36) ROCK2HTR6NSD2ALDH1A1EGFR
SCHEMBL29549095 0.79 ROCK2 (0.57) ROCK2
SCHEMBL3764811 0.79 ROCK2 (0.57) ROCK2
SCHEMBL16694213 0.77 ROCK2 (0.55) ROCK2ALDH1A1
SCHEMBL2296753 0.77 NPSR1 (0.33) ROCK2HTR6ALDH1A1LMNAMAPT
SCHEMBL29354371 0.77 HTR6 (0.36) HTR6NSD2ALDH1A1EGFRLMNA
SCHEMBL29353225 0.77 HTR6 (0.36) HTR6NSD2ALDH1A1EGFRLMNA
SCHEMBL21788 0.77 HTR6 (0.36) HTR6NSD2ALDH1A1EGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-6958347-B2 Aminophenanthridinone and aminophenanthridine as NPY-5 antagonists PFIZER INC. (US) 2005-10-25 US disclosed
EP-1578728-A1 5-AMINOPHENANTHRIDINE DERIVATIVES AS NPY-5 ANTAGONISTS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004054981-A1 5-AMINOPHENANTHRIDINE DERIVATIVES AS NPY-5 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-07-01 WO disclosed
US-20040122038-A1 NPY-5 antagonists PFIZER INC 2004-06-24 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ROCK2 3162/4885HTR6 988/4885CAMKK2 1195/4885
US-20040122038-A1 NPY-5 antagonists NPY5R, NPY1R, NPY2R ROCK2 1808/4885HTR6 120/4885CAMKK2 803/4885

“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.