SCHEMBL22494516

SCHEMBL22494516

O=C1NCC[C@H]1n1cc(Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM5A P29375 1/20 0.33
BTK Q06187 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL20910162 1.00 KDM4E (0.34) KDM4EALDH1A1DDB1CRBNKDM5A
SCHEMBL22494517 1.00 KDM4E (0.34) KDM4EALDH1A1DDB1CRBNKDM5A
SCHEMBL20437003 0.81 CRBN (0.47) ALDH1A1DDB1CRBN
SCHEMBL23168734 0.81 BTK (0.36) KDM4EALDH1A1DDB1CRBNKDM5A
SCHEMBL22060808 0.75 SRC (0.35) KDM5A
SCHEMBL17040075 0.71 BTK (0.41) KDM4EALDH1A1KDM5ABTK
SCHEMBL20899095 0.70 KDM4E (0.36) KDM4EALDH1A1LRRK2
SCHEMBL20519845 0.70 MAP4K1 (0.37) KDM5A
SCHEMBL16899742 0.70 MPO (0.38) KDM4EDDB1CRBNKDM5A
SCHEMBL1428386 0.69 CHRNB2 (0.48) ALDH1A1DDB1CRBNKDM5A

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-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US disclosed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 US disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 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-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 KDM4E 727/4885ALDH1A1 3763/4885DDB1 1407/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 KDM4E 727/4885ALDH1A1 3763/4885DDB1 1407/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 KDM4E 727/4885ALDH1A1 3763/4885DDB1 1407/4885

“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.