SCHEMBL20899052

SCHEMBL20899052

CC1(O)CCN(c2c[c]ccn2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
KHK P50053 5/20 0.35
MAP3K12 Q12852 2/20 0.33
ACACB O00763 1/20 0.32
CNR2 P34972 5/20 0.32
HSD17B10 Q99714 5/20 0.32
CYP2D6 P10635 4/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
CCR6 P51684 1/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL20898829 0.90 PTPN11 (0.36) HSD17B10CYP2D6TSHRCYP2C19CYP3A4
SCHEMBL20898786 0.89 ALDH1A1 (0.31) LRRK2HSD17B10CYP2D6TSHRCYP3A4
SCHEMBL20898740 0.76 HSD17B10 (0.36) LRRK2CNR2HSD17B10CYP2D6TSHR
SCHEMBL1599784 0.72 HRH4 (0.38) CNR2TSHRCYP1A2ALDH1A1
SCHEMBL4831454 0.72 HRH4 (0.34) CNR2
SCHEMBL20898792 0.72 HSD17B10 (0.37) MAP3K12HSD17B10CYP2D6TSHRCYP2C19
SCHEMBL20898780 0.72 CYP11B1 (0.32) LRRK2HSD17B10CYP2D6TSHRCYP2C19
SCHEMBL16445815 0.71 LRRK2 (0.31) LRRK2
SCHEMBL1569984 0.71 HRH4 (0.45) HSD17B10CYP2D6CYP1A2ALDH1A1
SCHEMBL30931041 0.71 LRRK2 (0.46) LRRK2KHKMAP3K12ACACBCNR2

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 11 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 claimed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US claimed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN claimed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP claimed
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO claimed
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
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 US disclosed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP disclosed
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 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 (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 LRRK2 905/4885KHK 675/4885MAP3K12 53/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 LRRK2 905/4885KHK 675/4885MAP3K12 53/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 LRRK2 905/4885KHK 675/4885MAP3K12 53/4885

“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.