SCHEMBL18883283

SCHEMBL18883283

CC(=O)c1cn2cc(N)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
EGLN1 Q9GZT9 7/20 0.39
APP P05067 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PIK3CG P48736 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
SCHEMBL2485534 0.84 PTGS1 (0.57) HRH4HRH3PTGS1PTGS2MAPT
SCHEMBL17512464 0.84 TGFBR1 (0.44) HRH4HRH3PTGS1PTGS2MAPT
SCHEMBL16376280 0.82 RAB9A (0.50) HRH4HRH3PTGS1PTGS2MAPT
SCHEMBL16396042 0.82 RAB9A (0.48) HRH4HRH3MAPTCYP1A2CYP3A4
SCHEMBL15223780 0.81 HRH4 (0.41) HRH4HRH3PTGS1PTGS2MAPT
SCHEMBL12286501 0.80 POLB (0.53) PTGS1MAPTPOLBEGLN1NPC1
SCHEMBL3545619 0.80 KDM4E (0.64) MAPTCYP1A2CYP3A4KDM4EPOLB
SCHEMBL8176307 0.79 APP (0.48) HRH4HRH3PTGS1PTGS2KDM4E
SCHEMBL20646875 0.79 HRH4 (0.61) HRH4HRH3MAPTKDM4EPOLB
SCHEMBL1500263 0.79 PIK3CG (0.51) HRH4HRH3PTGS1PTGS2KDM4E

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
US-20230272084-A1 B7-H3 DIRECTED ANTIBODY DRUG CONJUGATES MACROGENICS, INC. 2023-08-31 US disclosed
US-20230226206-A1 METHODS FOR THE USE OF A B7-H3 ANTIBODY-DRUG CONJUGATE ALONE OR IN COMBINATION MACROGENICS, INC. 2023-07-20 US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 US disclosed
US-9890159-B2 Process for making duocarmycin prodrugs SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-02-13 US disclosed
US-20170145006-A1 PROCESS FOR MAKING DUOCARMYCIN PRODRUGS SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2017-05-25 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 HRH4 1836/4885HRH3 1673/4885PTGS1 4253/4885
US-20230272084-A1 B7-H3 DIRECTED ANTIBODY DRUG CONJUGATES CD274, CD2, CD22 HRH4 14/4885HRH3 4/4885PTGS1 4515/4885
US-20170145006-A1 PROCESS FOR MAKING DUOCARMYCIN PRODRUGS UMPS, UNG, DNASE1 HRH4 2140/4885HRH3 1756/4885PTGS1 4804/4885
US-20230226206-A1 METHODS FOR THE USE OF A B7-H3 ANTIBODY-DRUG CONJUGATE ALONE OR IN COMBINATION CD274, PDCD1, H1-3 HRH4 46/4885HRH3 11/4885PTGS1 4328/4885

“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.