SCHEMBL166431

SCHEMBL166431

Nc1ncnn2c(C3CCCC3)c(CCC(=O)O)c(-c3cccc(O)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.42
PIK3CD O00329 7/20 0.41
IGF1R P08069 3/20 0.39
BTK Q06187 2/20 0.39
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
NPM1 P06748 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL166399 0.81 BTK (0.50) TNK2BTKLCKKDR
SCHEMBL169903 0.79 TNK2 (0.43) TNK2BTKLCKKDR
SCHEMBL168770 0.79 TNK2 (0.47) TNK2BTKLCKKDR
SCHEMBL168111 0.78 BTK (0.50) TNK2BTKLCKKDR
SCHEMBL16267066 0.78 BTK (0.53) TNK2PIK3CDBTKRET
SCHEMBL123385 0.78 BTK (0.65) TNK2BTK
SCHEMBL124142 0.77 BTK (0.53) TNK2BTKMERTK
SCHEMBL120357 0.67 TNK2 (0.56) TNK2IGF1RABL1NTRK1INSR
SCHEMBL176919 0.67 BTK (0.66) TNK2PIK3CDBTK
SCHEMBL122977 0.66 TNK2 (0.51) TNK2IGF1RBTKABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP claimed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 US disclosed
US-20140357636-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2014-12-04 US 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 (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-20160074409-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 TNK2 1030/4885PIK3CD 2190/4885IGF1R 1272/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 TNK2 1030/4885PIK3CD 2190/4885IGF1R 1272/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885PIK3CD 426/4885IGF1R 2225/4885

“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.