SCHEMBL22728642

SCHEMBL22728642

C[P@@](c1nc2ccccc2nc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
NQO2 P16083 5/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22728641 1.00 MAPT (0.37) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL31355218 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL3174167 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL29364593 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL29576079 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL12520346 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL18958854 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL1988460 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL2559367 0.92 MAPT (0.43) MAPTNQO2ALDH1A1GAAKDM4E
SCHEMBL3224612 0.90 MAPT (0.42) MAPTNQO2ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-08-10 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-18 US disclosed
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2020-12-03 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 (4 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-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND ORC3, BMP2, TERT MAPT 4211/4885NQO2 3706/4885ALDH1A1 3411/4885
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND BPGM, COASY, BRSK2 MAPT 4514/4885NQO2 3601/4885ALDH1A1 3485/4885
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound BPGM, BRSK2, COASY MAPT 4508/4885NQO2 3527/4885ALDH1A1 3387/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 MAPT 4790/4885NQO2 1596/4885ALDH1A1 3863/4885

“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.