SCHEMBL18520179

SCHEMBL18520179

CCn1cc(-c2ccc(N)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
PI4KA P42356 2/20 0.55
PIK3CG P48736 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
LRRK2 Q5S007 1/20 0.55
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KCNH2 Q12809 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PIP5K1C O60331 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CREBBP Q92793 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL17809809 0.83 LRRK2 (0.64) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17806603 0.82 KCNH2 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17091242 0.82 PRMT5 (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17870561 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28965334 0.81 L3MBTL1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18609309 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18487593 0.81 L3MBTL1 (0.65) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15379161 0.81 PDK2 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30388104 0.81 LRRK2 (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18985713 0.81 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 PIK3CD 1335/4885PIK3CA 2319/4885PIK3CB 1522/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 PIK3CD 2268/4885PIK3CA 3048/4885PIK3CB 2393/4885

“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.