SCHEMBL17854036

SCHEMBL17854036

CN(c1ccc2c(c1)OCO2)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CYP3A4 P08684 3/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL16219455 0.80 LMNA (0.52) MAPTKMT2ASMN1; SMN2ATML3MBTL1
SCHEMBL1254036 0.80 NPC1 (0.51) KDREGFRPDGFRBPDGFRACYP3A4
SCHEMBL13153359 0.77 KMT2A (0.44) CYP3A4INSRIGF1RSRCALDH1A1
SCHEMBL5305710 0.74 HPGD (0.45) KDREGFRPDGFRBPDGFRACYP3A4
SCHEMBL15014114 0.74 KMT2A (0.47) KDREGFRPDGFRBPDGFRACYP3A4
SCHEMBL17854034 0.74 EGFR (0.46) KDREGFRPDGFRBMAPTNPC1
SCHEMBL20687024 0.74 HRH2 (0.50) CYP3A4INSRIGF1RSRCALDH1A1
SCHEMBL12017943 0.73 NPC1 (0.60) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL16340696 0.73 EGFR (0.51) KDREGFRPDGFRBPDGFRACYP3A4
SCHEMBL16340275 0.73 HPGD (0.54) KDREGFRPDGFRBPDGFRACYP3A4

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
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-29 US disclosed
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-12-28 US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
US-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-06-23 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-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents ERBB2, MAP2, TUBB6 KDR 167/4885EGFR 8/4885PDGFRB 232/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR KDR 402/4885EGFR 38/4885PDGFRB 394/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR KDR 402/4885EGFR 38/4885PDGFRB 394/4885

“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.