SCHEMBL17818370

SCHEMBL17818370

C#Cc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
KCNK3 O14649 4/20 0.59
KCNK9 Q9NPC2 3/20 0.59
HDAC3 O15379 1/20 0.57
EGFR P00533 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
SIRT1 Q96EB6 2/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 5/20 0.54

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
SCHEMBL3838614 0.92 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL5612900 0.90 KCNK3 (0.69) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL3842896 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL15907176 0.86 KMT2A (0.61) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13023381 0.86 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13132582 0.86 L3MBTL1 (0.73) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13132744 0.86 L3MBTL1 (0.69) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13023357 0.85 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13065995 0.85 PARP1 (0.55) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL13692719 0.85 HDAC8 (0.52) HDAC1HDAC2HDAC8HDAC6KCNK3

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
EP-3417912-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2020-08-12 EP 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 HDAC1 2400/4885HDAC2 2483/4885HDAC8 2512/4885

“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.