SCHEMBL404756

SCHEMBL404756

O=C(O)c1cccc2nc(Cc3cccs3)[nH]c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 4/20 0.47
PNP P00491 1/20 0.46
PKM P14618 1/20 0.44
PARP1 P09874 1/20 0.44
WNT3A P56704 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
CYP2C9 P11712 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
EGFR P00533 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL405327 0.81 KMT2A (0.61) KDM4ETSHRPOLBPKMGAA
SCHEMBL402347 0.81 KDM4E (0.64) KDM4ESMN1; SMN2LMNATSHRPOLB
SCHEMBL13892327 0.78 TNKS2 (0.57) SMN1; SMN2POLBPARP1TNKS2GAA
SCHEMBL403749 0.76 KDM4E (0.67) KDM4ESMN1; SMN2LMNATSHRPOLB
SCHEMBL401595 0.76 MAPT (0.47) KDM4ESMN1; SMN2LMNAPOLBPARP1
SCHEMBL405065 0.75 PDE5A (0.64) POLBCDK4CCND1
SCHEMBL405713 0.75 ALDH1A1 (0.48) POLBCDK4CCND1
SCHEMBL38116 0.75 PDE5A (0.63) KDM4ESMN1; SMN2LMNATSHRPOLB
SCHEMBL406004 0.75 KDM4E (0.70) KDM4ESMN1; SMN2LMNATSHRPOLB
SCHEMBL3492250 0.74 ALDH1A1 (0.56) KDM4ESMN1; SMN2LMNATSHRPOLB

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
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP disclosed
CN-101501007-B Quinazoline derivative ASKA PARMACEUTICAL CO LTD 2014-01-29 CN disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN disclosed
CN-101501007-A Quinazoline derivative ASKA PARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD KDM4E 4291/4885SMN1; SMN2 3450/4885LMNA 3072/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885SMN1; SMN2 3905/4885LMNA 3137/4885

“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.