SCHEMBL1703430

SCHEMBL1703430

Nc1ccsc1C(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
P2RX1 P51575 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
CISD2 Q8N5K1 2/20 0.41
LMNA P02545 1/20 0.40
F10 P00742 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 3/20 0.39
MAPK8 P45983 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL1703451 0.79 MEN1 (0.45) RXFP1NPSR1HPGDKDM4EALDH1A1
SCHEMBL1703428 0.79 DHODH (0.51) RXFP1NPSR1HPGDCISD2LMNA
SCHEMBL20303197 0.77 MAPT (0.43) RXFP1NPSR1HPGDKDM4EALDH1A1
SCHEMBL633920 0.76 RAB9A (0.59) KDM4EALDH1A1LMNAF10MAPT
SCHEMBL1703373 0.76 NPC1 (0.56) RXFP1NPSR1KDM4EALDH1A1CISD2
SCHEMBL1703648 0.75 RAB9A (0.56) RXFP1NPSR1ALDH1A1CISD2LMNA
SCHEMBL7532801 0.75 FADS1 (0.59) NPSR1P2RX1P2RX4P2RX7HPGD
SCHEMBL5790077 0.74 KIT (0.52) HPGDKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL634899 0.73 HPGD (0.47) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL632354 0.73 EPHX2 (0.55) KDM4EMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB RXFP1 3385/4885NPSR1 3227/4885P2RX1 126/4885

“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.