SCHEMBL3573222

SCHEMBL3573222

CN1CCN(c2ccc(NC=C3C(=O)Nc4ccc(C(=O)c5cccc(N)c5)cc43)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.43
CSF1R P07333 1/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
JAK3 P52333 1/20 0.39
TLK2 Q86UE8 2/20 0.39
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 1/20 0.39
RET P07949 1/20 0.38
ADRA2C P18825 1/20 0.38
RAF1 P04049 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK11A Q9UQ88 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3583080 0.93 CSF1R (0.47) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL3581952 0.92 CSF1R (0.43) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL3573216 0.91 PDPK1 (0.42) CSF1RCDK4CCND1NPC1RAB9A
SCHEMBL4758319 0.91 PDPK1 (0.42) CSF1RCDK4CCND1NPC1RAB9A
SCHEMBL3569089 0.90 PDGFRB (0.43) CSF1RNPC1RAB9ATLK2RET
SCHEMBL3581951 0.89 CSF1R (0.43) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL4757425 0.88 JAK3 (0.47) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL4757422 0.88 JAK3 (0.47) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL3582824 0.86 JAK3 (0.50) FLT3CSF1RCDK4CCND1NPC1
SCHEMBL3582827 0.86 JAK3 (0.50) FLT3CSF1RCDK4CCND1NPC1

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 FLT3 380/4885CSF1R 776/4885CDK4 192/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 FLT3 87/4885CSF1R 877/4885CDK4 98/4885

“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.