SCHEMBL4939955

SCHEMBL4939955

c1ccc(N(c2ncnc3[nH]ncc23)N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.57
▸ LMNA P02545 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SLC29A1 Q99808 1/20 0.39
▸ RET P07949 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ AKT2 P31751 2/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL4939964 0.78 CSF1R (0.33) CSF1RHTR1A
SCHEMBL8117275 0.77 CSF1R (0.71) CSF1RLMNAMAPTCHEK1AURKA
SCHEMBL4560014 0.70 PLD1 (0.46) HTR1AHTR7
SCHEMBL3130104 0.68 CYP1A2 (0.34) MAPTRPS6KB1HTR6
Hydrochloric Acid SCHEMBL28363987 0.67 AKT2 (0.67) LMNAMAPTHTTAKT2RPS6KB1
Hydrochloric Acid SCHEMBL2799346 0.67 AKT2 (0.67) LMNAMAPTHTTAKT2RPS6KB1
SCHEMBL3130113 0.67 HTR6 (0.34) MAPTHTR6
SCHEMBL5553426 0.66 HRH4 (0.44) LMNAMAPT
SCHEMBL9667930 0.66 CSF1R (0.65) CSF1RLMNACHEK1AURKAL3MBTL1
SCHEMBL27433115 0.66 HIF1A (0.40) MAPTCHEK1L3MBTL1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 — — 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 CSF1R 1939/4885LMNA 2304/4885MAPT 4051/4885

“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.

Send feedback