SCHEMBL5019602

SCHEMBL5019602

CCC1=C(c2ccc(NC(=O)c3cnccc3C)cc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPT P10636 2/20 0.34
NAMPT P43490 3/20 0.34
ACKR3 P25106 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
CREBBP Q92793 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN11 Q06124 1/20 0.33
TYK2 P29597 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
CSF1R P07333 1/20 0.33
KDR P35968 1/20 0.33
ERBB4 Q15303 1/20 0.33
MAPK14 Q16539 1/20 0.33
FPR3 P25089 1/20 0.32

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
SCHEMBL5019765 0.90 CSNK1D (0.37) SMYD3CSNK1DCSNK1EMAPTNAMPT
SCHEMBL5019613 0.88 CSNK1D (0.38) SMYD3CSNK1DCSNK1EMAPTNAMPT
SCHEMBL5019713 0.83 SMYD3 (0.37) SMYD3CSNK1DCSNK1EMAPTNAMPT
SCHEMBL5019605 0.83 L3MBTL1 (0.35) MAPTNAMPTL3MBTL1CREBBPHTT
SCHEMBL5019723 0.82 KMT2A (0.40) MAPTPOLBSMN1; SMN2
SCHEMBL1781495 0.80 RAB9A (0.38) MAPTL3MBTL1PTPN11TYK2LCK
SCHEMBL986998 0.80 STIM1 (0.42) CSNK1DCSNK1ENAMPTL3MBTL1HTT
SCHEMBL5019706 0.79 MAPT (0.33) MAPTL3MBTL1POLBPTPN11
SCHEMBL5019611 0.79 RAB9A (0.37) ACKR3L3MBTL1POLBHTTPTPN11
SCHEMBL4561040 0.78 KMT2A (0.35) MAPTL3MBTL1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-10-31 US disclosed
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 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-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, IL5, TPMT SMYD3 2684/4885CSNK1D 1304/4885CSNK1E 1660/4885

“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.