SCHEMBL17818364

SCHEMBL17818364

C#Cc1cc(C(=O)NC2CC2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
TAS1R2 Q8TE23 2/20 0.53
MAPK14 Q16539 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MCHR1 Q99705 4/20 0.47
DPP4 P27487 3/20 0.46
KCNH2 Q12809 3/20 0.46
DPP7 Q9UHL4 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SMYD3 Q9H7B4 3/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL17818390 0.82 MAPK14 (0.53) MAPK14NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16236296 0.81 NPC1 (0.50) MAPK14NPC1RAB9AKMT2AMEN1
SCHEMBL531986 0.81 MCHR1 (0.64) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL2868187 0.78 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL31591018 0.77 LMNA (0.44) RAB9AKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL13790808 0.77 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL531505 0.77 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL2060027 0.77 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL2864006 0.77 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL24359908 0.75 MCHR1 (0.60) TAS1R3TAS1R1TAS1R2MAPK14NPC1

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-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 TAS1R3 3810/4885TAS1R1 3865/4885TAS1R2 3885/4885

“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.