SCHEMBL20116697

SCHEMBL20116697

Cc1nnc(C)c2cc(C#N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
CHUK O15111 1/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
SOS1 Q07889 1/20 0.37
ITK Q08881 1/20 0.36
PDE5A O76074 3/20 0.36
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL30506249 1.00 ALDH1A1 (0.43) ALDH1A1CYP2A6CHUKCSNK1A1CSNK1D
SCHEMBL31322047 0.76 GRM5 (0.44) ALDH1A1CYP2A6CSNK1A1CSNK1DGSK3B
SCHEMBL7720311 0.76 CYP2A6 (0.48) ALDH1A1CYP2A6CHUKL3MBTL1MEN1
SCHEMBL13074276 0.74 CA2 (0.43) ALDH1A1CYP2A6CHUKL3MBTL1MEN1
SCHEMBL1102316 0.71 PDE5A (0.51) ALDH1A1CHUKPDE5ACA1CA2
SCHEMBL31719497 0.71 PDE5A (0.51) ALDH1A1CHUKPDE5ACA1CA2
SCHEMBL20116880 0.70 CYP1A2 (0.39) ALDH1A1CYP2A6L3MBTL1
SCHEMBL11986226 0.69 GRM2 (0.38) ALDH1A1CYP2A6CSNK1A1CSNK1DGSK3B
SCHEMBL10164899 0.69 G6PD (0.38) ALDH1A1CYP2A6CHUKCASP3
SCHEMBL22549000 0.69 IRAK4 (0.50) ALDH1A1PDE5A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-3529245-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2019-08-28 EP disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (7 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885CYP2A6 1182/4885CHUK 2542/4885

“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.