SCHEMBL21643836

SCHEMBL21643836

Cc1cc(C(N)=O)cc([N+](=O)[O-])c1NCC=CCNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 5/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
PARP1 P09874 1/20 0.37
HCAR3 P49019 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL21643835 1.00 KMT2A (0.41) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL19436491 0.86 MAPT (0.41) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL19436494 0.86 MAPT (0.41) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL19436492 0.86 MAPT (0.41) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL21643850 0.86 SMN1; SMN2 (0.38) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL29436946 0.86 SMN1; SMN2 (0.38) KMT2APKMMAPTGAASMN1; SMN2
SCHEMBL19436526 0.81 ALDH1A1 (0.41) KMT2APKMMAPTGAAALDH1A1
SCHEMBL19436529 0.81 ALDH1A1 (0.41) KMT2APKMMAPTGAAALDH1A1
SCHEMBL19436527 0.81 ALDH1A1 (0.41) KMT2APKMMAPTGAAALDH1A1
SCHEMBL21643823 0.81 MAPT (0.32) MAPTGAAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE INCYTE CORPORATION 2023-12-14 US disclosed
US-11713317-B2 Tricyclic heterocyclic compounds as sting activators INCYTE CORPORATION (US) 2023-08-01 US disclosed
US-11596692-B1 PD-L1/STING conjugates and methods of use INCYTE CORPORATION (US) 2023-03-07 US disclosed
EP-3802534-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS INCYTE CORP (US) 2022-07-13 EP disclosed
US-20220073509-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS INCYTE CORPORATION 2022-03-10 US disclosed
US-20210163493-A1 HETEROARYL AMIDE COMPOUNDS AS STING ACTIVATORS INCYTE CORPORATION 2021-06-03 US disclosed
EP-3802534-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS Incyte Corporation (US) 2021-04-14 EP disclosed
US-10947227-B2 Tricyclic heterocyclic compounds as sting activators INCYTE CORPORATION (US) 2021-03-16 US disclosed
US-10875872-B2 Heteroaryl amide compounds as sting activators INCYTE CORPORATION (US) 2020-12-29 US disclosed
US-20200039994-A1 HETEROARYL AMIDE COMPOUNDS AS STING ACTIVATORS INCYTE CORPORATION 2020-02-06 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 (8 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-20220073509-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS STING1, MAVS, IRF3 KMT2A 3746/4885PKM 2821/4885MAPT 4604/4885
US-11596692-B1 PD-L1/STING conjugates and methods of use STING1, PDCD1LG2, CD274 KMT2A 2733/4885PKM 3082/4885MAPT 3654/4885
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE STING1, PDCD1LG2, CD274 KMT2A 2733/4885PKM 3082/4885MAPT 3654/4885
US-11713317-B2 Tricyclic heterocyclic compounds as sting activators STING1, MAVS, IRF3 KMT2A 3746/4885PKM 2821/4885MAPT 4604/4885
US-10875872-B2 Heteroaryl amide compounds as sting activators STING1, MAVS, IRF3 KMT2A 2231/4885PKM 3907/4885MAPT 4501/4885
US-10947227-B2 Tricyclic heterocyclic compounds as sting activators STING1, MAVS, IRF3 KMT2A 3746/4885PKM 2821/4885MAPT 4604/4885
US-20210163493-A1 HETEROARYL AMIDE COMPOUNDS AS STING ACTIVATORS STING1, MAVS, IRF3 KMT2A 2231/4885PKM 3907/4885MAPT 4501/4885
US-20200039994-A1 HETEROARYL AMIDE COMPOUNDS AS STING ACTIVATORS STING1, MAVS, IRF3 KMT2A 2231/4885PKM 3907/4885MAPT 4501/4885

“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.