SCHEMBL3581952

SCHEMBL3581952

CN1CCN(c2ccc(NC=C3C(=O)Nc4ccc(C(=O)c5ccc(N)cc5)cc43)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ADRA2C P18825 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
RET P07949 1/20 0.40
JAK3 P52333 1/20 0.39
TLK2 Q86UE8 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3581951 0.93 CSF1R (0.43) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3569694 0.93 CSF1R (0.49) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3573222 0.92 FLT3 (0.43) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3582824 0.90 JAK3 (0.50) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3582827 0.90 JAK3 (0.50) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3580563 0.90 PDGFRB (0.43) CSF1RNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4758319 0.89 PDPK1 (0.42) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3573216 0.89 PDPK1 (0.42) CSF1RNPC1RAB9ALMNATP53
SCHEMBL3569691 0.86 CSF1R (0.49) CSF1RNPC1RAB9ALMNATP53
SCHEMBL4757422 0.85 JAK3 (0.47) CSF1RNPC1RAB9ARETJAK3

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-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 CSF1R 776/4885NPC1 4757/4885RAB9A 2105/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CSF1R 877/4885NPC1 4204/4885RAB9A 2799/4885

“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.