SCHEMBL3554883

SCHEMBL3554883

COc1ccc(C(=O)c2ccc3noc(-c4cccc(Cl)c4)c3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 5/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 1/20 0.53
IP6K1 Q92551 10/20 0.53
IP6K3 Q96PC2 10/20 0.53
IP6K2 Q9UHH9 10/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL5514440 0.89 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL3549996 0.88 IP6K1 (0.62) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL5656312 0.85 IP6K1 (0.55) KMT2AMEN1ALDH1A1HPGDIP6K1
SCHEMBL3559449 0.85 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1HPGDIP6K1
SCHEMBL5656276 0.80 IP6K1 (0.51) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL5545666 0.80 DOT1L (0.54) KMT2AMEN1ALDH1A1HPGDIP6K1
SCHEMBL25991593 0.79 IP6K1 (0.81) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL5022746 0.78 IP6K1 (0.52) KMT2AMEN1ALDH1A1HPGDIP6K1
SCHEMBL3557898 0.78 HPGD (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL14434145 0.76 IP6K1 (0.78) KMT2AMEN1NPC1ALDH1A1POLB

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-7655654-B2 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles or triazoles JANSSEN PHARMACEUTICA NV (BE) 2010-02-02 US disclosed
US-7511138-B2 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles or triazoles JANSSEN PHARMACEUTICA NV (BE) 2009-03-31 US disclosed
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES ANGIBAUD PATRICK R 2008-01-31 US disclosed
EP-1497295-B1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2006-08-16 EP disclosed
US-20050148609-A1 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles of triazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
EP-1497295-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-19 EP disclosed
WO-2003087101-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-23 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 (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-20050148609-A1 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles of triazoles FNTA, FNTB, HCCS KMT2A 2748/4885MEN1 1369/4885NPC1 38/4885
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES FNTA, FNTB, CYP7A1 KMT2A 2783/4885MEN1 1298/4885NPC1 32/4885

“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.