SCHEMBL20028095

SCHEMBL20028095

CCOC(=O)c1c(-c2ccccc2)ncn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ADORA3 P0DMS8 3/20 0.50
GAA P10253 2/20 0.49
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48

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
SCHEMBL14710561 0.87 HTT (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL19840109 0.86 KMT2A (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28811842 0.80 KDR (0.47) ALDH1A1LMNAMEN1KMT2AKDR
SCHEMBL4801949 0.80 KDR (0.54) ALDH1A1LMNAMEN1KMT2AKDR
SCHEMBL12727152 0.79 KDR (0.53) SMN1; SMN2CYP1A2ALDH1A1MAPTLMNA
SCHEMBL4796730 0.77 KDR (0.52) CYP1A2CYP2C9CYP2C19LMNAKDR
SCHEMBL6257997 0.77 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20027814 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20028096 0.77 CYP19A1 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL5937208 0.77 ALDH1A1 (0.47) SMN1; SMN2CYP1A2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885CYP1A2 4836/4885CYP2C9 4860/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SMN1; SMN2 263/4885CYP1A2 4757/4885CYP2C9 4690/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885CYP1A2 4836/4885CYP2C9 4860/4885

“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.