SCHEMBL17818378

SCHEMBL17818378

C#Cc1cccc(NC(=O)c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC3 O15379 1/20 0.54
EGFR P00533 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
P2RX1 P51575 1/20 0.53
PDGFRB P09619 1/20 0.53
KDR P35968 1/20 0.53

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
SCHEMBL13400497 0.88 KCNK3 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17818408 0.87 KCNK3 (0.72) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL5612900 0.86 KCNK3 (0.69) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22627078 0.86 MEN1 (0.61) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL13400494 0.86 HDAC3 (0.55) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL15907203 0.85 MEN1 (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL13692718 0.85 KCNK9 (0.55) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17818385 0.85 MEN1 (0.71) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17818392 0.85 MEN1 (0.69) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17818373 0.85 NPC1 (0.70) NPC1RAB9AMEN1KMT2AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN disclosed
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
CN-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 CN 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 NPC1 4323/4885RAB9A 1101/4885MEN1 3235/4885

“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.