SCHEMBL6960374

SCHEMBL6960374

NCCn1nc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CXCR4 P61073 1/20 0.38
POLB P06746 2/20 0.36
LTA4H P09960 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8088119 0.85 MAPT (0.44) MAPTL3MBTL1CXCR4TLR8
SCHEMBL366356 0.83 MAPT (0.46) MAPTCXCR4TDP1TLR8
SCHEMBL3269459 0.80 KDM4E (0.42) MAPTL3MBTL1KDM4EHPGDCXCR4
SCHEMBL7151154 0.76 MAPT (0.41) MAPTL3MBTL1KDM4EHPGDCXCR4
SCHEMBL20540638 0.76 MAPT (0.41) MAPTL3MBTL1KDM4EHPGDCXCR4
SCHEMBL6954586 0.76 ATM (0.43) MAPTL3MBTL1KDM4EHPGDPOLB
SCHEMBL6229314 0.76 POLB (0.48) MAPTL3MBTL1KDM4EHPGDPOLB
SCHEMBL13817406 0.74 KDM4E (0.46) MAPTL3MBTL1KDM4EHPGDCXCR4
SCHEMBL9222921 0.73 TLR8 (0.51) MAPTMEN1KMT2ACYP1A2TLR8
SCHEMBL5337351 0.73 MAPT (0.39) MAPTL3MBTL1KDM4EHPGDCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS MAPT 3135/4885L3MBTL1 2597/4885KDM4E 2390/4885

“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.