SCHEMBL20899424

SCHEMBL20899424

Cc1cc(N2C[CH]CCC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.41
HRH4 Q9H3N8 7/20 0.41
CD274 Q9NZQ7 1/20 0.35
CHKA P35790 1/20 0.35
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
LDHA P00338 1/20 0.34
AOC3 Q16853 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
CHRM4 P08173 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL425041 0.83 HRH4 (0.56) UHRF1HRH4CD274CHKALDHA
Water SCHEMBL28114608 0.81 HRH4 (0.54) UHRF1HRH4CD274CHKALDHA
SCHEMBL9455784 0.81 HRH4 (0.58) UHRF1HRH4CD274CHKA
SCHEMBL21186191 0.79 HRH4 (0.50) UHRF1HRH4CHKARXRAGRIN1
SCHEMBL4066583 0.75 CHKA (0.63) CHKA
SCHEMBL13027958 0.74 HRH4 (0.63) HRH4CHKA
SCHEMBL4068350 0.73 ADRB1 (0.53)
SCHEMBL13027974 0.73 HRH4 (0.61) HRH4
SCHEMBL23515046 0.72 HRH4 (0.45) HRH4
SCHEMBL4070572 0.72 ADRB1 (0.47)

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-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 UHRF1 1548/4885HRH4 1771/4885CD274 3884/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 UHRF1 1548/4885HRH4 1771/4885CD274 3884/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 UHRF1 1548/4885HRH4 1771/4885CD274 3884/4885

“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.