SCHEMBL1053909

SCHEMBL1053909

COc1ccc(Cc2c[nH]c3c(Cl)nc(N)nc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.50
HTT P42858 1/20 0.50
PNP P00491 3/20 0.47
EGFR P00533 2/20 0.44
KDR P35968 2/20 0.44
PDGFRB P09619 1/20 0.44
CA2 P00918 1/20 0.43
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL11831045 0.74 DHFR (0.58) DHFRHTTCA2
SCHEMBL1059699 0.73 HSP90AA1 (0.53)
SCHEMBL1081797 0.69 DHFR (0.42) DHFRHTT
SCHEMBL873984 0.68 TRAP1 (0.70)
SCHEMBL28076947 0.68 DHFR (0.50) DHFRHTTCA2
Diaveridine SCHEMBL93896 0.67 DHFR (1.00) DHFRHTTNTRK1CSF1RNTRK3
Diaveridine SCHEMBL29527560 0.67 DHFR (1.00) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL8941120 0.67 CA2 (0.53) CA2
SCHEMBL8941277 0.67 DHFR (0.59) DHFRHTTCA2NTRK1CSF1R
SCHEMBL15277464 0.66 APP (0.63) DHFREGFRKDRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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 (1 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 DHFR 1825/4885HTT 56/4885PNP 3229/4885

“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.