SCHEMBL4865570

SCHEMBL4865570

Sc1nc(-c2ccncc2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
CES1 P23141 1/20 0.38
RAB9A P51151 4/20 0.37
AR P10275 3/20 0.37
ENPP3 O14638 2/20 0.37
NPC1 O15118 2/20 0.37
ENPP1 P22413 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTK2 Q05397 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 5/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2201954 0.81 ENPP3 (0.45) RAB9AENPP3NPC1ENPP1KMT2A
SCHEMBL13209803 0.77 LTA4H (0.54) LMNAMAPTCES1RAB9AAR
SCHEMBL13484046 0.75 ENPP3 (0.66) LMNAMAPTRAB9AENPP3NPC1
SCHEMBL15922564 0.75 LMNA (0.40) LMNAMAPTCES1RAB9AAR
SCHEMBL9336752 0.71 HSD11B1 (0.39) LMNATP53PKMKMT2ASMN1; SMN2
SCHEMBL15062621 0.71 CES1 (0.38) LMNAMAPTCES1RAB9AAR
SCHEMBL27768589 0.71 CES1 (0.53) LMNAMAPTCES1PKMKMT2A
SCHEMBL5122636 0.71 LOXL2 (0.41) LMNAMAPTCES1RAB9AAR
SCHEMBL16512894 0.71 ENPP3 (0.59) MAPTCES1RAB9AARENPP3
SCHEMBL13744848 0.68 S1PR1 (0.52) MAPTCES1RAB9AENPP3NPC1

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-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 LMNA 90/4885MAPT 3300/4885CES1 450/4885

“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.