Sugi Predict

Sugi Predict / Compounds / SCHEMBL17686765

SCHEMBL17686765

SCHEMBL17686765

CC(=NN=C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ FURIN P09958 4/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPFFR1 Q9GZQ6 1/20 0.38
▸ NPFFR2 Q9Y5X5 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL17627139 1.00 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17627135 0.84 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17686768 0.84 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17627114 0.78 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17686767 0.78 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4279968 0.73 FURIN (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4037961 0.73 FURIN (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7968589 0.73 FURIN (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2009657 0.73 HPGD (0.48) MAPTALDH1A1CYP2C19RAB9AHTT
SCHEMBL2009658 0.73 HPGD (0.48) MAPTALDH1A1CYP2C19RAB9AHTT

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
CN-105408314-B Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from α -dihaloamines 拜耳作物科学股份公司 2018-04-24 — — CN disclosed
EP-2999694-B1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES BAYER CROPSCIENCE AG (DE) 2017-05-17 — — EP disclosed
US-9512081-B2 Process for preparing 3,5-bis(fluoroalkyl)pyrazole derivatives from α,α-dihaloamines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
CN-105408314-A Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from alpha, alpha-dihaloamines BAYER CROPSCIENCE AG 2016-03-16 — — 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-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES HDHD5, CYP4F3, AADAC MAPT 2647/4885CYP1A2 53/4885CYP3A4 20/4885

“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.

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