Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072600

SCHEMBL10072600

SCHEMBL10072600

CC(C)[C@@H](Nc1ccnc(-c2c[nH]c(C(=O)NCc3ccccc3)c2)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK7 Q13164 4/20 0.40
▸ PKM P14618 1/20 0.40
▸ F2 P00734 2/20 0.40
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PRKCB P05771 1/20 0.38

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
SCHEMBL10072530 0.88 ROCK2 (0.41) HTTROCK2PLK4JAK2STK10
SCHEMBL10072601 0.88 ROCK2 (0.42) F2ROCK2PLK4JAK2STK10
SCHEMBL10072527 0.88 ROCK2 (0.40) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044709 0.86 F2 (0.39) LMNAALDH1A1MAPK7PKMF2
SCHEMBL10072355 0.85 ROCK2 (0.38) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044705 0.83 ROCK2 (0.47) LMNAALDH1A1MAPK7PKMHTT
SCHEMBL10072084 0.81 ROCK2 (0.37) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10072160 0.81 ROCK2 (0.41) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044789 0.80 TTK (0.39) LMNAALDH1A1HTTCYP1A2CYP3A4
SCHEMBL10072159 0.79 JAK3 (0.40) ALDH1A1ROCK2PLK4JAK2STK10

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-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 — — 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 LMNA 4444/4885ALDH1A1 3250/4885MAPK7 315/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 LMNA 4444/4885ALDH1A1 3250/4885MAPK7 315/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 LMNA 4444/4885ALDH1A1 3250/4885MAPK7 315/4885

“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.