SCHEMBL4874412

SCHEMBL4874412

Sc1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 5/20 0.40
IDO1 P14902 1/20 0.39
AR P10275 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSK3B P49841 4/20 0.37
KDM5B Q9UGL1 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
IMPDH2 P12268 1/20 0.35
CCNC P24863 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
SCHEMBL2215451 0.81 MEN1 (0.44) LMNAMAPTMAPK1IDO1CYP1A2
SCHEMBL6608440 0.78 MAPK1 (0.41) MAPK1ARNPC1RAB9AGSK3B
SCHEMBL6177597 0.78 METAP2 (0.41) LMNAMAPTCYP3A4NPC1RAB9A
SCHEMBL6609394 0.78 PDGFRB (0.41) LMNAMAPTIDO1NPC1RAB9A
SCHEMBL27717280 0.77 MAPK1 (0.49) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6165643 0.76 KMT2A (0.41) LMNAMAPTCYP3A4NPC1RAB9A
SCHEMBL11101854 0.76 DYRK1A (0.43) MAPTGSK3BKDM4EKMT2ADYRK1A
Hydrochloric Acid SCHEMBL27695082 0.76 MAPK1 (0.48) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25214532 0.75 MAPT (0.42) LMNAMAPTMAPK1IDO1AR
SCHEMBL14511620 0.75 GSK3B (0.53) LMNAMAPTMAPK1IDO1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
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
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
EP-0507650-B1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1996-05-22 EP disclosed
US-5280030-A Containing 1-benz(oxazole, thiazole or imidazole)-4-imidazole piperidine compound SYNTHELABO (FR) 1994-01-18 US disclosed
EP-0507650-A1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1992-10-07 EP 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-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 LMNA 3889/4885MAPT 3726/4885MAPK1 160/4885
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 LMNA 90/4885MAPT 3300/4885MAPK1 88/4885

“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.