SCHEMBL4817825

SCHEMBL4817825

C#CCN1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
USP2 O75604 1/20 0.63
CDK4 P11802 1/20 0.63
ALOX15 P16050 1/20 0.63
CCND1 P24385 1/20 0.63
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
TRPM5 Q9NZQ8 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL4106226 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6617812 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8069229 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL12377760 0.78 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL13296367 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7168528 0.77 HTR2A (0.50) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4112330 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL9386269 0.76 DRD3 (0.49) ALDH1A1NPC1RAB9A
SCHEMBL155757 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4

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
WO-2021218755-A1 SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 (CN) 2021-11-04 WO disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 ALDH1A1 3901/4885MEN1 3383/4885KMT2A 1384/4885

“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.