SCHEMBL18010976

SCHEMBL18010976

CC(NC(=O)O)c1nnc(C(F)(F)F)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HDAC6 Q9UBN7 4/20 0.36
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
AR P10275 1/20 0.33
HDAC4 P56524 5/20 0.33
DPP4 P27487 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3016463 0.81 KMT2A (0.64) ATMKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL17298915 0.78 HDAC4 (0.47) KMT2AHDAC6MAPTARHDAC4
SCHEMBL6823997 0.70 EPHX2 (0.33) HDAC6EPHX2
SCHEMBL16081991 0.70 PKM (0.37) HDAC6ALDH1A1L3MBTL1EPHX2HPGD
SCHEMBL5806478 0.68 KMT2A (0.67) ATMKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL13091637 0.67 ATM (0.47) ATMKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL30962423 0.67 CYP1A2 (0.36) HDAC6EPHX2
SCHEMBL18010971 0.66 CTSK (0.44) ATMKMT2AALDH1A1HPGD
SCHEMBL24040866 0.66 HDAC4 (0.47) KMT2AHDAC6ALDH1A1HDAC4
SCHEMBL24754781 0.66 ALDH1A1 (0.46) KMT2ATSHRALDH1A1MAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 EP disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 US disclosed
US-9662333-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-30 US disclosed
EP-3150599-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2017-04-05 EP disclosed
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 US disclosed
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-25 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-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR ATM 2122/4885KMT2A 1136/4885TSHR 3100/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD ATM 1955/4885KMT2A 1083/4885TSHR 3183/4885
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR ATM 2122/4885KMT2A 1136/4885TSHR 3100/4885
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, NR5A2 ATM 1603/4885KMT2A 1268/4885TSHR 630/4885

“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.