SCHEMBL17815221

SCHEMBL17815221

Cc1ccn2cnc(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
LRRK2 Q5S007 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 6/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FGFR1 P11362 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL19781162 0.80 LRRK2 (0.35) LRRK2NPC1RAB9AKDM4EALDH1A1
SCHEMBL20116289 0.80 CCR1 (0.34) CCR1CCR5CCR8SMN1; SMN2TP53
SCHEMBL21568795 0.77 LRRK2 (0.34) LRRK2SMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL20116290 0.77 TP53 (0.33) CCR1CCR5CCR8SMN1; SMN2TP53
SCHEMBL21893418 0.77 KDM4E (0.37) CCR1CCR5CCR8SMN1; SMN2TP53
SCHEMBL24657617 0.77 TP53 (0.33) CCR1CCR5CCR8SMN1; SMN2TP53
SCHEMBL21358993 0.76 KLKB1 (0.34) CCR1CCR5CCR8SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL28568645 0.76 IKBKB (0.42) CCR1CCR5CCR8SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL21355066 0.74 KLKB1 (0.34) CCR1CCR5CCR8SMN1; SMN2TP53
SCHEMBL19641513 0.74 KDM4E (0.40) SMN1; SMN2KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
EP-3468996-B1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2022-05-04 EP disclosed
EP-3835322-A2 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2021-06-16 EP disclosed
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2017-12-14 US disclosed
WO-2017214282-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214301-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214462-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-11-24 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 CCR1 1370/4885CCR5 513/4885CCR8 1727/4885
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 CCR1 3905/4885CCR5 2870/4885CCR8 3108/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX CCR1 4212/4885CCR5 3355/4885CCR8 3759/4885

“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.