SCHEMBL690118

SCHEMBL690118

[c]1ncccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ITK Q08881 5/20 0.48
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
CHEK1 O14757 1/20 0.45
KDR P35968 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL16756058 0.77 PPARG (0.38) CYP19A1ITKGAA
SCHEMBL3741818 0.75 RAB9A (0.49) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL29631691 0.74 RAB9A (0.74) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL374022 0.74 RAB9A (0.74) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL543150 0.73 RAB9A (0.47) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL1781163 0.73 RAB9A (0.55) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL82498 0.71 NPC1 (0.58) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL5179280 0.71 ITK (0.61) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL30337474 0.71 ITK (0.57) CYP19A1RAB9ANPC1ITKGSK3B
SCHEMBL2489128 0.71 ITK (0.57) CYP19A1RAB9ANPC1ITKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203447-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2012-02-29 EP claimed
US-5321153-A Asymetric hydrogenation MONSANTO COMPANY (US) 1994-06-14 US claimed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 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 (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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CYP19A1 2478/4885RAB9A 713/4885NPC1 3855/4885

“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.