SCHEMBL11902769

SCHEMBL11902769

Fc1cccc(Cn2ncc3cc(Nc4ncnc5cnc(F)cc45)ccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.67
EGFR P00533 14/20 0.64
MEN1 O00255 1/20 0.64
RGS12 O14924 1/20 0.64
GMNN O75496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
RAF1 P04049 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
APEX1 P27695 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL19402679 0.92 ERBB2 (0.79) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL3380148 0.89 ERBB2 (0.64) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL6767935 0.89 ERBB2 (0.82) ERBB2EGFRMEN1RGS12GMNN
Hydrochloric Acid SCHEMBL6774156 0.88 ERBB2 (0.81) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL13804567 0.87 ERBB2 (0.62) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL1353109 0.87 ERBB2 (0.62) ERBB2EGFRMEN1RGS12GMNN
Hydrochloric Acid SCHEMBL217170 0.86 ERBB2 (0.62) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL3377629 0.86 ERBB2 (0.71) ERBB2EGFR
Boric Acid SCHEMBL27804528 0.85 ERBB2 (0.63) ERBB2EGFRMEN1RGS12GMNN
Hydrochloric Acid SCHEMBL4029419 0.85 ERBB2 (0.70) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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 (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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 ERBB2 1/4885EGFR 110/4885MEN1 2350/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 ERBB2 1/4885EGFR 110/4885MEN1 2320/4885

“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.