SCHEMBL17818376

SCHEMBL17818376

C#Cc1cccc(C(=O)NC2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 1/20 0.57
KDM1A O60341 1/20 0.56
HPGD P15428 1/20 0.53
HTR2B P41595 1/20 0.53
ACACB O00763 2/20 0.53
GRM5 P41594 5/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL16236040 0.94 NPC1 (0.55) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL26407280 0.84 RAB9A (0.69) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9265040 0.82 RAB9A (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6707186 0.82 RAB9A (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL28422020 0.80 CDK5 (0.48) L3MBTL1RAB9ANPC1PKMACACB
SCHEMBL19891611 0.80 NPC1 (0.72) RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL19445791 0.78 RAB9A (0.72) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL22031528 0.78 USP30 (0.55) KDM4EPKM
SCHEMBL23384768 0.77 SMYD3 (0.76) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL31070870 0.77 L3MBTL1 (0.68) L3MBTL1RAB9ANPC1SMN1; SMN2KDM4E

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 L3MBTL1 3936/4885RAB9A 1101/4885NPC1 4323/4885

“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.