SCHEMBL167517

SCHEMBL167517

Nc1ncnn2c(C3CCCC3)c(CN3CCOCC3)c(-c3ccc(Oc4cccc(Cl)c4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.48
LCK P06239 1/20 0.48
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48
TNK2 Q07912 6/20 0.44
PIK3CD O00329 3/20 0.44
ACVRL1 P37023 5/20 0.41
RET P07949 1/20 0.37
BCR P11274 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT3 P36888 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKCD Q05655 1/20 0.37
DDR1 Q08345 1/20 0.37
MAP4K2 Q12851 1/20 0.37
TNK1 Q13470 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
MAP3K11 Q16584 1/20 0.37

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
SCHEMBL16267080 0.90 PIK3CD (0.48) BTKPIK3CDACVRL1
SCHEMBL124042 0.83 PIK3CD (0.41) BTKLCKKDRTEKTNK2
SCHEMBL166399 0.82 BTK (0.50) BTKLCKKDRTEKTNK2
SCHEMBL126077 0.82 BTK (0.47) BTKLCKKDRTEKTNK2
SCHEMBL123604 0.75 TNK2 (0.56) LCKKDRTEKTNK2
SCHEMBL169688 0.75 TNK2 (0.44) BTKLCKKDRTEKTNK2
SCHEMBL170027 0.75 BTK (0.61) BTKTNK2PIK3CD
SCHEMBL120665 0.72 TNK2 (0.53) LCKKDRTEKTNK2
SCHEMBL175282 0.72 BTK (0.60) BTKKDRTNK2PIK3CDACVRL1
SCHEMBL168111 0.72 BTK (0.50) BTKLCKKDRTEKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP claimed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US claimed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 US disclosed
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 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 (2 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-20160074409-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885LCK 4767/4885KDR 4670/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885LCK 7/4885KDR 2377/4885

“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.