SCHEMBL4766876

SCHEMBL4766876

O=c1ccc(Nc2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.63
MAPKAPK2 P49137 2/20 0.51
KDR P35968 4/20 0.47
EGFR P00533 3/20 0.47
EPHB4 P54760 2/20 0.47
ERBB2 P04626 2/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
YES1 P07947 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
FLT1 P17948 1/20 0.47
ERBB3 P21860 1/20 0.47
WEE1 P30291 1/20 0.47
ABL2 P42684 1/20 0.47
NEK3 P51956 1/20 0.47
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47

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
SCHEMBL4764638 0.89 KDR (0.51) CSF1RKDREGFREPHB4ERBB2
SCHEMBL4772956 0.89 KDR (0.59) CSF1RKDREGFREPHB4ERBB2
SCHEMBL4766796 0.88 CSF1R (0.66) CSF1RMAPKAPK2KDREGFREPHB4
SCHEMBL4769627 0.88 CSF1R (0.63) CSF1RMAPKAPK2KDREGFREPHB4
SCHEMBL4763944 0.82 CSF1R (0.63) CSF1RMAPKAPK2KDREGFREPHB4
SCHEMBL4763961 0.82 CSF1R (0.63) CSF1RKDREGFREPHB4ERBB2
SCHEMBL4774356 0.82 CSF1R (0.65) CSF1RMAPKAPK2KDREGFREPHB4
Hydrochloric Acid SCHEMBL4765807 0.81 CSF1R (0.64) CSF1RMAPKAPK2KDREGFREPHB4
SCHEMBL4764299 0.81 CSF1R (0.61) CSF1RMAPKAPK2KDREGFREPHB4
SCHEMBL4764456 0.80 PRMT5 (0.66) CSF1REGFRAURKB

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 10 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
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US disclosed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP disclosed
US-7323469-B2 7H-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-01-29 US disclosed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 US disclosed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 US disclosed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 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-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 CSF1R 4089/4885MAPKAPK2 2447/4885KDR 1868/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP CSF1R 3024/4885MAPKAPK2 2824/4885KDR 3031/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS CSF1R 3516/4885MAPKAPK2 2468/4885KDR 2234/4885

“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.