SCHEMBL22052153

SCHEMBL22052153

CC(C)(Cc1nc2ccccc2[nH]1)n1cc(-c2ccccc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ DDAH1 O94760 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ THRB P10828 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL22821490 0.74 CYP19A1 (0.46) SMN1; SMN2TSHRKDM4EMEN1ALDH1A1
SCHEMBL22052185 0.73 MAPK1 (0.47) EGFRERBB2DDAH1CYP2C9SMN1; SMN2
SCHEMBL4124111 0.72 DDAH1 (0.65) DDAH1CYP1A2CYP2C9SMN1; SMN2TSHR
SCHEMBL32670361 0.71 CYP19A1 (0.43) SMN1; SMN2TSHRMEN1LMNAKMT2A
SCHEMBL13036563 0.70 CYP19A1 (0.47) TSHRLMNAKMT2ANPC1RAB9A
SCHEMBL10761755 0.70 DDAH1 (0.61) DDAH1CYP1A2CYP2C9TSHRLMNA
SCHEMBL19651813 0.70 DDAH1 (0.61) DDAH1CYP1A2CYP2C9SMN1; SMN2TSHR
SCHEMBL4619198 0.70 DDAH1 (0.61) DDAH1CYP1A2CYP2C9SMN1; SMN2KDM4E
SCHEMBL10946704 0.68 CYP1A2 (0.74) DDAH1CYP1A2CYP2C9SMN1; SMN2KDM4E
SCHEMBL26156421 0.68 CYP19A1 (0.45) SMN1; SMN2TSHRKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 — — US disclosed
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker GLYCOMIMETICS, INC. (US) 2020-06-04 — — 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 (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-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG EGFR 2044/4885ERBB2 1752/4885DDAH1 520/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG EGFR 1035/4885ERBB2 1625/4885DDAH1 1231/4885

“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.

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