SCHEMBL2385259

SCHEMBL2385259

c1cc(COc2nccnc2N2CCNCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
HTR2C P28335 3/20 0.42
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6014772 0.85 HTR6 (0.58) HRH4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4320992 0.85 HRH4 (0.50) HRH4NCF1HTR1A
SCHEMBL4313483 0.85 NMT1 (0.45) ADRB2NCF1PLD1ROCK2ROCK1
SCHEMBL2382669 0.83 ALDH1A1 (0.57) HRH4ADRB2NCF1PLD1HTR1A
SCHEMBL12251269 0.82 HTR1A (0.53) HRH4ADRB2NCF1PLD1HTR1A
SCHEMBL4317632 0.81 ADRB2 (0.46) ADRB2NCF1PLD1ROCK2ROCK1
SCHEMBL12251227 0.79 ALDH1A1 (0.53) HRH4ADRB2NCF1PLD1HTR1A
SCHEMBL12302898 0.79 HRH4 (0.49) HRH4ADRB2NCF1PLD1HTR1A
Hydrochloric Acid SCHEMBL7059560 0.79 HTR2C (0.58) HRH4HTR1AHTR2C
SCHEMBL4313634 0.79 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 WO 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR HRH4 2917/4885ADRB2 1407/4885NCF1 1783/4885

“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.