SCHEMBL4774048

SCHEMBL4774048

CN(C)Cc1ccc(-c2cc3c(Nc4ccc5c(c4)OCO5)ncnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
BRAF P15056 3/20 0.45
RAF1 P04049 1/20 0.45
PDE5A O76074 1/20 0.45
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
INCENP Q9NQS7 2/20 0.43
TPX2 Q9ULW0 2/20 0.43
CHUK O15111 1/20 0.43
INSR P06213 1/20 0.43
MAPK8 P45983 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4766630 0.87 CSF1R (0.54) PIK3CAPIK3CGBRAFRAF1PDE5A
SCHEMBL4764388 0.87 PIK3CA (0.48) PIK3CAPIK3CGBRAFRAF1PDE5A
SCHEMBL4766592 0.84 KDR (0.61) PDE5AUSP2MAPK1RETEGFR
SCHEMBL4764631 0.83 KDR (0.52) INSRUSP2MAPK1RETEGFR
SCHEMBL4763944 0.81 CSF1R (0.63) PIK3CAPIK3CGKDM4EUSP2CYP1A2
SCHEMBL4770875 0.81 CSF1R (0.52) BRAFRAF1CHUKINSRMAPK8
SCHEMBL4765640 0.80 EGFR (0.57) BRAFRAF1AURKAAURKBINCENP
SCHEMBL4769376 0.79 BRAF (0.51) BRAFAURKAAURKBINCENPTPX2
Hydrochloric Acid SCHEMBL4767230 0.78 BRAF (0.50) BRAFAURKAAURKBINCENPTPX2
SCHEMBL4766712 0.78 CHUK (0.47) BRAFAURKAAURKBINCENPTPX2

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
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 US claimed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 US claimed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 US claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP 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-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP PIK3CA 279/4885PIK3CG 926/4885BRAF 929/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS PIK3CA 235/4885PIK3CG 928/4885BRAF 1116/4885

“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.