Sugi Predict

Sugi Predict / Compounds / SCHEMBL7035141

SCHEMBL7035141

SCHEMBL7035141

COc1nc(N)cc(=O)n1CCCC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.38
▸ CSNK2A1 P68400 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ GRIA2 P42262 1/20 0.36
▸ MYLK Q15746 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ TRAP1 Q12931 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL6778694 0.80 PDE4D (0.35) MAPTHTTHPGDMEN1KMT2A
SCHEMBL7036369 0.78 MTNR1A (0.38) CYP1A2CYP2C19CYP3A4MAPTKDM4E
SCHEMBL9305415 0.71 ALDH1A1 (0.44) CYP3A4MAPTKDM4ETHRBHTT
SCHEMBL9300556 0.71 MAPT (0.39) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL7035193 0.68 MAOA (0.42) CYP1A2MAPK1CYP2C19CYP3A4MAPT
SCHEMBL7038766 0.68 KDM4E (0.46) CYP1A2MAPK1CYP2C9CYP2C19MAPT
SCHEMBL7041805 0.66 TNF (0.43) MAPTKDM4EALDH1A1KMT2A
SCHEMBL16004435 0.62 NPSR1 (0.53) CYP1A2CSNK2A1GRIA2MAPK1CA2
SCHEMBL7121368 0.62 LTB4R (0.39) CYP1A2HSP90AA1MAPK1CYP2C9CYP2C19
SCHEMBL28165429 0.61 CNR2 (0.47) CYP1A2CSNK2A1HSP90AA1MYLKMAPK1

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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
US-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
WO-2003011297-A1 N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS (US) 2003-02-13 — — WO disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 — — WO 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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections MPHOSPH6, MRPS18A, PNP CYP1A2 3347/4885CSNK2A1 2131/4885HSP90AA1 976/4885
US-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS CYP1A2 1913/4885CSNK2A1 3048/4885HSP90AA1 2470/4885

“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.