Sugi Predict

Sugi Predict / Compounds / SCHEMBL10104400

SCHEMBL10104400

SCHEMBL10104400

Cc1cc(N2CCN(CC(F)F)CC2)c(F)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ CACNA1G O43497 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL10104333 0.86 ALDH1A1 (0.42) TP53MAPTALDH1A1
SCHEMBL10104407 0.83 DRD4 (0.36) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL10104389 0.81 BRAF (0.38) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL10104326 0.81 ADRB2 (0.44) MAPTHTR2AHTR2CHTR2BHTR1A
SCHEMBL10104392 0.81 HTR2A (0.38) PHGDHMAPTHTR2AHTR2CHTR2B
SCHEMBL10104394 0.80 HSD11B1 (0.36) PHGDHTP53MAPTHTR2AHTR2C
SCHEMBL10104401 0.79 HTR2A (0.37) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL10104395 0.78 HTR2A (0.32) PHGDHMAPTHTR2AHTR2CHTR2B
SCHEMBL10104405 0.77 LMNA (0.43) MAPTALDH1A1TSHR
SCHEMBL10104332 0.76 ADRB2 (0.40) MAPTHTR2AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 — — US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 — — 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 PHGDH 2462/4885TP53 149/4885MAPT 3933/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PHGDH 1990/4885TP53 290/4885MAPT 3852/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 PHGDH 696/4885TP53 516/4885MAPT 3272/4885

“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.