SCHEMBL212963

SCHEMBL212963

Cc1cc(OCC2CCNCC2)ccc1NC(=O)c1ncn(-c2c(F)cccc2Cl)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 4/20 0.42
PIM2 Q9P1W9 4/20 0.42
PIM1 P11309 3/20 0.42
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
KDM1A O60341 4/20 0.38
RCOR1 Q9UKL0 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CHEK2 O96017 1/20 0.34

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
Hydrochloric Acid SCHEMBL213989 0.99 PIM3 (0.41) PIM3PIM2PIM1CHRM2CHRM1
SCHEMBL2735394 0.78 ALDH1A1 (0.42) PIM3PIM2PIM1CHRM2CHRM1
SCHEMBL2735459 0.78 ALDH1A1 (0.42) PIM3PIM2PIM1CHRM2CHRM1
SCHEMBL213422 0.76 RAB9A (0.43) CHRM2CHRM1CHRM3KDM1ARCOR1
SCHEMBL214381 0.75 KDM1A (0.38) PIM3PIM2PIM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL215124 0.75 KDM1A (0.39) CHRM2CHRM1CHRM3KDM1ARCOR1
SCHEMBL215754 0.69 KDM1A (0.42) PIM3PIM2PIM1KDM1ARCOR1
SCHEMBL216140 0.69 CHEK2 (0.41) KDM1AHSP90AB1MEN1KMT2ATP53
SCHEMBL213423 0.69 MAPT (0.48) KDM1AMEN1KMT2A
Hydrochloric Acid SCHEMBL213648 0.69 KDM1A (0.42) PIM3PIM2PIM1KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 PIM3 189/4885PIM2 20/4885PIM1 161/4885

“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.