SCHEMBL17818390

SCHEMBL17818390

C#Cc1cc(C(=O)NC2CC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
MAPK11 Q15759 4/20 0.49
HSPB1 P04792 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KIT P10721 2/20 0.47
DDR1 Q08345 2/20 0.47
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
CNR2 P34972 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL17818364 0.82 TAS1R3 (0.53) MAPK14NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL29934104 0.81 TAS1R3 (0.44) NPC1RAB9AKITDDR1
SCHEMBL16236296 0.81 NPC1 (0.50) MAPK14NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10282601 0.81 GLA (0.64) MAPK14MAPK11HSPB1CYP2C9NPC1
SCHEMBL22854377 0.78 KIT (0.42) NPC1RAB9AHPGDSMN1; SMN2KIT
SCHEMBL25548 0.78 MAPK14 (0.58) MAPK14MAPK11HSPB1CYP2C9NPC1
SCHEMBL2948427 0.78 MAPK14 (0.58) MAPK14MAPK11HSPB1CYP2C9NPC1
SCHEMBL9609642 0.77 TSHR (0.47) CYP1A2SMN1; SMN2KMT2A
SCHEMBL178414 0.77 MAPK14 (0.60) MAPK14MAPK11HSPB1CYP2C9NPC1
SCHEMBL2974767 0.77 MAPK14 (0.57) MAPK14MAPK11HSPB1CYP2C9NPC1

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 MAPK14 403/4885MAPK11 639/4885HSPB1 4353/4885

“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.