SCHEMBL2376784

SCHEMBL2376784

Fc1ccc(NNCCc2ccccc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
POLB P06746 1/20 0.55
ULK1 O75385 1/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42

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
SCHEMBL7835892 0.83 RAB9A (0.57) RAB9APOLBULK1ALDH1A1SMN1; SMN2
SCHEMBL5203429 0.73 SHMT2 (0.56) RAB9APOLBALDH1A1SMN1; SMN2HTT
SCHEMBL3711850 0.71 L3MBTL1 (0.49) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL5396991 0.70 MEN1 (0.53) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL2376781 0.70 ALDH1A1 (0.45) RAB9APOLBULK1ALDH1A1SMN1; SMN2
SCHEMBL10395199 0.70 SMN1; SMN2 (0.64) RAB9AALDH1A1SMN1; SMN2LMNATAAR1
SCHEMBL6237452 0.69 L3MBTL1 (0.59) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16191048 0.68 HTR2A (0.51) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL22776244 0.68 RAB9A (0.73) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL12500537 0.67 KDM4E (0.69) RAB9AALDH1A1TAAR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 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 (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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 RAB9A 962/4885POLB 453/4885ULK1 427/4885

“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.