SCHEMBL14630461

SCHEMBL14630461

Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(Br)c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.51
TNK2 Q07912 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL28724598 0.95 IGF1R (0.49) IGF1RTNK2SMN1; SMN2CYP2C19
SCHEMBL21050808 0.95 IGF1R (0.49) IGF1RTNK2SMN1; SMN2CYP2C19
SCHEMBL21050896 0.91 IGF1R (0.50) IGF1RTNK2
SCHEMBL15929297 0.90 IGF1R (0.51) IGF1RTNK2
SCHEMBL2322562 0.89 SMN1; SMN2 (0.47) TNK2SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL593894 0.89 IGF1R (0.51) IGF1RTNK2SMN1; SMN2CYP2C19NPC1
SCHEMBL27030777 0.87 SMN1; SMN2 (0.46) IGF1RTNK2SMN1; SMN2CYP2C19NPC1
SCHEMBL30449939 0.86 IGF1R (0.49) IGF1RTNK2
SCHEMBL14630466 0.85 GRIN2B (0.49) IGF1RTNK2GRIN2B
SCHEMBL14630518 0.85 BTK (0.48) IGF1RTNK2SMN1; SMN2CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 IGF1R 970/4885TNK2 203/4885SMN1; SMN2 3846/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 IGF1R 1041/4885TNK2 188/4885SMN1; SMN2 3577/4885

“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.