SCHEMBL18253192

SCHEMBL18253192

C(#Cc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
PDGFRB P09619 3/20 0.59
PDGFRA P16234 3/20 0.59
ACACB O00763 1/20 0.51
GRM5 P41594 5/20 0.50
CYP1A2 P05177 1/20 0.50
MGAM O43451 1/20 0.49
ADORA2A P29274 1/20 0.47
APP P05067 1/20 0.46
EGFR P00533 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL15112998 0.86 ALDH1A1 (0.58) ALDH1A1PDGFRBPDGFRAACACBGRM5
SCHEMBL3061440 0.86 ALDH1A1 (0.58) ALDH1A1PDGFRBPDGFRAACACBCYP1A2
SCHEMBL21858115 0.86 ALDH1A1 (0.58) ALDH1A1PDGFRBPDGFRAACACBGRM5
SCHEMBL7214768 0.83 ALDH1A1 (0.63) ALDH1A1PDGFRBPDGFRAACACBCYP1A2
SCHEMBL4818276 0.83 ALDH1A1 (0.63) ALDH1A1PDGFRBPDGFRAACACBCYP1A2
SCHEMBL18253193 0.82 ALDH1A1 (0.58) ALDH1A1PDGFRBPDGFRAACACBGRM5
SCHEMBL15114977 0.82 ALDH1A1 (0.57) ALDH1A1PDGFRBPDGFRAACACBCYP1A2
SCHEMBL20593929 0.81 ALDH1A1 (0.56) ALDH1A1PDGFRBPDGFRAACACBCYP1A2
SCHEMBL8302360 0.81 PDGFRB (0.56) ALDH1A1PDGFRBPDGFRAGRM5APP
SCHEMBL8296430 0.81 PDGFRB (0.56) ALDH1A1PDGFRBPDGFRAACACBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ALDH1A1 2225/4885PDGFRB 2989/4885PDGFRA 2546/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ALDH1A1 2210/4885PDGFRB 3212/4885PDGFRA 2597/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ALDH1A1 2225/4885PDGFRB 2989/4885PDGFRA 2546/4885

“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.