Sugi Predict

Sugi Predict / Compounds / SCHEMBL8970084

SCHEMBL8970084

SCHEMBL8970084

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(C(=O)Cc3ccccc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ PRKCA P17252 2/20 0.47
▸ PRKCD Q05655 2/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GFER P55789 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL8969853 0.93 KDM4E (0.49) PRKCQKDM4EPRKCAPRKCDGBA1
SCHEMBL9008256 0.93 PRKCQ (0.47) PRKCQKDM4EPRKCAPRKCDGBA1
SCHEMBL8970074 0.92 PRKCQ (0.48) PRKCQKDM4EPRKCAPRKCDGBA1
SCHEMBL1481470 0.86 PRKCQ (0.49) PRKCQKDM4EPRKCAPRKCDALDH1A1
SCHEMBL9008398 0.86 PRKCQ (0.50) PRKCQPRKCAPRKCD
SCHEMBL8969827 0.86 PRKCQ (0.67) PRKCQKDM4EPRKCAPRKCDSMN1; SMN2
SCHEMBL8970034 0.85 PRKCQ (0.49) PRKCQKDM4EPRKCAPRKCDALDH1A1
SCHEMBL8970022 0.84 PRKCQ (0.51) PRKCQPRKCAPRKCD
SCHEMBL13857181 0.84 KDM4E (0.51) PRKCQKDM4EPRKCAPRKCDGBA1
SCHEMBL9010401 0.83 PRKCQ (0.53) PRKCQKDM4EPRKCAPRKCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885KDM4E 990/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885KDM4E 990/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885KDM4E 990/4885PRKCA 25/4885

“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.