SCHEMBL4726558

SCHEMBL4726558

COc1ccc(CNc2nccnc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
HIF1A Q16665 1/20 0.49
PDE5A O76074 1/20 0.49
POLB P06746 2/20 0.48
EGFR P00533 1/20 0.48
NR2F2 P24468 1/20 0.48
VNN1 O95497 1/20 0.47

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
SCHEMBL28255605 0.84 TSHR (0.63) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL26921894 0.82 TSHR (0.55) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL28089055 0.81 ALDH1A1 (0.42) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL1715696 0.81 NPC1 (0.58) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL20840516 0.81 TSHR (0.53) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL14783141 0.79 TSHR (0.51) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL14782991 0.79 TSHR (0.51) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL27679615 0.76 GAA (0.58) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL32669370 0.76 PDE5A (0.51) TSHRALDH1A1NPC1KDM4EHPGD
SCHEMBL29999532 0.76 KDM4E (0.56) TSHRALDH1A1NPC1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO disclosed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT TSHR 1385/4885ALDH1A1 1647/4885NPC1 2658/4885

“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.