Sugi Predict

Sugi Predict / Compounds / SCHEMBL17136102

SCHEMBL17136102

SCHEMBL17136102

O=C(Nc1c(F)cccc1F)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57
▸ GRM4 Q14833 7/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDR P35968 2/20 0.53
▸ KCNK3 O14649 1/20 0.53
▸ KCNK9 Q9NPC2 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ METAP2 P50579 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
SCHEMBL30763136 0.83 HDAC3 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5285570 0.83 HDAC3 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL10555166 0.81 MAPT (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20302477 0.80 P2RX7 (0.56) GRM4RAB9ALMNA
SCHEMBL10038817 0.79 NPC1 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL32060705 0.79 NPC1 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28506780 0.79 HDAC1 (0.43) HDAC6HDAC1HDAC8GRM4NPC1
SCHEMBL28183890 0.79 PIM1 (0.47) HDAC3HDAC1GRM4
SCHEMBL31133474 0.78 POLB (0.46) GRM4
Picolinic Acid Fluorobenzylamide SCHEMBL27812819 0.78 TSHR (0.60) GRM4LMNASMN1; SMN2

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
US-9458151-B2 Isothiazole derivatives as PIM kinase inhibitors and preparation methods and use in medicinal manufacture thereof Jikai Biosciences, Inc. (CN) 2016-10-04 — — US disclosed
US-9452995-B2 Pyridine derivatives as PIM kinase inhibitors and preparation methods and use in medicinal manufacture thereof Jikai Biosciences, Inc. (CN) 2016-09-27 — — US disclosed
US-20150284363-A1 PYRIDINE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF Jikai Biosciences, Inc. 2015-10-08 — — US disclosed
US-20150284378-A1 ISOTHIAZOLE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF Jikai Biosciences, Inc. 2015-10-08 — — 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 (2 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-20150284363-A1 PYRIDINE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF PIM1, PIM2, PIM3 HDAC6 2001/4885HDAC3 1747/4885HDAC4 2199/4885
US-20150284378-A1 ISOTHIAZOLE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF PIM1, PIM2, PIM3 HDAC6 925/4885HDAC3 964/4885HDAC4 1680/4885

“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.