SCHEMBL6288997

SCHEMBL6288997

CCOC(=O)c1cnc2c(C)nc(C)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.43
HSP90AA1 P07900 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
DPP4 P27487 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL31447165 0.86 DPP4 (0.44) KMT2AMEN1RAB9ANPC1TSHR
SCHEMBL31446898 0.84 KDM4E (0.42) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL11240555 0.80 THRB (0.57) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL31251364 0.79 KMT2A (0.49) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL538577 0.78 KMT2A (0.46) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL10998094 0.78 MAPK1 (0.44) KMT2AMEN1KDM4ETSHRMAPT
SCHEMBL19783662 0.77 THRB (0.45) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL6201155 0.77 THRB (0.45) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL730189 0.77 MAPK1 (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL6200613 0.77 KMT2A (0.45) KMT2AMEN1RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (3 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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KMT2A 993/4885MEN1 2250/4885RAB9A 3037/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KMT2A 993/4885MEN1 2250/4885RAB9A 3037/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KMT2A 993/4885MEN1 2250/4885RAB9A 3037/4885

“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.