SCHEMBL17818371

SCHEMBL17818371

C#Cc1cccc(C(=O)NCC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ACACB O00763 1/20 0.55
HDAC6 Q9UBN7 4/20 0.52
POLB P06746 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
BCHE P06276 1/20 0.49
MAOB P27338 1/20 0.49
MAPK14 Q16539 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL4400995 0.82 MEN1 (0.52) MEN1KMT2AACACBHDAC6POLB
SCHEMBL29032735 0.78 MEN1 (0.86) MEN1KMT2AHDAC6POLBHDAC3
SCHEMBL16236040 0.78 NPC1 (0.55) MEN1KMT2AACACBKDM1A
SCHEMBL28871861 0.78 F10 (0.60) MEN1KMT2AHDAC6POLBHDAC3
SCHEMBL3246370 0.78 MEN1 (0.59) MEN1KMT2AHDAC6POLBHDAC3
SCHEMBL30450738 0.78 MEN1 (0.86) MEN1KMT2AHDAC6POLBHDAC3
SCHEMBL8297087 0.78 HPGD (0.65) MEN1KMT2AHDAC6POLBHDAC8
SCHEMBL18175993 0.78 MEN1 (0.59) MEN1KMT2AHDAC6POLBHDAC3
SCHEMBL17730184 0.77 DRD4 (0.48) MEN1KMT2AACACBHDAC6HDAC3
SCHEMBL17730185 0.77 DRD4 (0.48) MEN1KMT2AACACBHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 MEN1 3235/4885KMT2A 1498/4885ACACB 3941/4885

“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.