SCHEMBL3459657

SCHEMBL3459657

Clc1nc(-c2ccncc2)nc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NT5E P21589 1/20 0.45
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL3497699 0.87 HTT (0.49) HTTNT5ENPC1RAB9AMEN1
SCHEMBL3461641 0.84 MAPK1 (0.54) HTTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16183310 0.82 KMT2A (0.52) KDM4ENPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7280022 0.81 PDE5A (0.52) KDM4ENPC1MEN1KMT2AMAPT
SCHEMBL3460702 0.81 SMN1; SMN2 (0.43) HTTSMN1; SMN2NT5EKDM4ENPC1
SCHEMBL13272944 0.81 HTT (0.55) HTTSMN1; SMN2NT5EKDM4ENPC1
SCHEMBL3972857 0.79 NPC1 (0.50) HTTNT5EKDM4ENPC1RAB9A
SCHEMBL3973898 0.77 LMNA (0.45) HTTSMN1; SMN2NT5EKDM4ENPC1
SCHEMBL8268904 0.77 DHODH (0.43) NT5EMAPTCYP2C9CYP1A2PDE5A
SCHEMBL3461416 0.77 MAPT (0.59) HTTSMN1; SMN2KDM4EMEN1KMT2A

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-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR HTT 3659/4885SMN1; SMN2 3129/4885NT5E 1826/4885

“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.