SCHEMBL12466684

SCHEMBL12466684

COC(=O)c1c[nH]c2c1CC(C)(C)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.41
NR4A2 P43354 9/20 0.41
CREBBP Q92793 1/20 0.41
SPR P35270 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
AXL P30530 3/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12466649 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPT
SCHEMBL12466646 0.78 MAP2K1 (0.45) MAP2K1NR4A2CREBBPAXLKDM4E
SCHEMBL12466653 0.76 NR4A2 (0.43) MAP2K1NR4A2CREBBPAXLMAPT
SCHEMBL12466440 0.76 NR4A2 (0.43) MAP2K1NR4A2CREBBPALDH1A1HPGD
SCHEMBL8185702 0.72 PTPRC (0.46) ALDH1A1HPGDMAPK1KDM4EGAA
SCHEMBL12466489 0.70 CYP11B2 (0.43) NR4A2SPRALDH1A1HPGDMAPK1
SCHEMBL31412446 0.66 NR4A2 (0.42) MAP2K1NR4A2CREBBPSPRKDM4E
SCHEMBL12466658 0.64 KDM4E (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL19140344 0.64 USP2 (0.45) MAP2K1NR4A2CREBBPALDH1A1HPGD
SCHEMBL31474051 0.64 KDM4E (0.38) SPRALDH1A1HPGDKDM4EGAA

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
EP-2668190-B1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-17 EP disclosed
US-9309253-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-04-12 US disclosed
US-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-05-21 US disclosed
US-8975267-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-10 US disclosed
EP-2668190-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP disclosed
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-07 US disclosed
WO-2012101032-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 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-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 MAP2K1 400/4885NR4A2 3803/4885CREBBP 742/4885
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 MAP2K1 435/4885NR4A2 4094/4885CREBBP 815/4885

“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.