SCHEMBL21383976

SCHEMBL21383976

CC(c1cccc(F)c1)c1cnc(N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
PTGER3 P43115 1/20 0.37
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ATM Q13315 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
AOC3 Q16853 1/20 0.35
DRD2 P14416 2/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
DRD3 P35462 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29442819 0.84 IDO1 (0.42) KDM4EPTGER3KMT2AIDO1TDO2
SCHEMBL21383969 0.84 IDO1 (0.42) KDM4EPTGER3KMT2AIDO1TDO2
SCHEMBL21383929 0.82 IDO1 (0.42) KDM4EPTGER3KMT2AIDO1TDO2
SCHEMBL17643502 0.81 KMT2A (0.53) KMT2APOLB
SCHEMBL792296 0.73 ACHE (0.48) IDO1TDO2AOC3
SCHEMBL34467497 0.72 EPHX2 (0.45) KDM4EKMT2AMAPK1MAPTMEN1
SCHEMBL34467571 0.72 ADRB2 (0.41) KDM4EKMT2ANPC1RAB9A
SCHEMBL27115431 0.72 ACHE (0.38) KMT2AIDO1TDO2MAPTAOC3
Ammonia Solution, Strong SCHEMBL6000669 0.71 ACHE (0.46) IDO1TDO2AOC3
SCHEMBL29442806 0.71 MAPT (0.51) KDM4EKMT2AIDO1TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO 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 (3 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM4E 1073/4885PTGER3 2076/4885KMT2A 587/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KDM4E 2853/4885PTGER3 1760/4885KMT2A 2479/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 KDM4E 2853/4885PTGER3 1760/4885KMT2A 2479/4885

“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.