SCHEMBL20567604

SCHEMBL20567604

O=C(OC1(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CCNCC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
TSHR P16473 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
USP7 Q93009 10/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.49

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
SCHEMBL28349670 0.93 RAB9A (0.53) SMN1; SMN2TSHRRAB9ALMNAHPGD
SCHEMBL20567795 0.87 SMN1; SMN2 (0.44) SMN1; SMN2TSHRRAB9ALMNAHPGD
Trifluoroacetic Acid SCHEMBL17869212 0.86 USP7 (0.61) SMN1; SMN2TSHRNPC1RAB9ALMNA
SCHEMBL20568020 0.85 USP7 (0.51) USP7
SCHEMBL21228973 0.84 USP19 (0.47) SMN1; SMN2TSHRNPC1RAB9ALMNA
SCHEMBL17869255 0.84 USP7 (0.68) SMN1; SMN2TSHRNPC1RAB9ALMNA
Trifluoroacetic Acid SCHEMBL32668813 0.83 USP7 (0.59) SMN1; SMN2TSHRNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL17870477 0.83 USP7 (0.67) SMN1; SMN2TSHRNPC1RAB9ALMNA
SCHEMBL21525494 0.81 USP7 (0.65) SMN1; SMN2TSHRNPC1RAB9ALMNA
Trifluoroacetic Acid SCHEMBL17869376 0.78 USP7 (0.61) SMN1; SMN2TSHRRAB9ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
CN-107406451-B Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2019-12-17 CN disclosed
US-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2018-11-29 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 (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-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SMN1; SMN2 1753/4885TSHR 3275/4885NPC1 4217/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SMN1; SMN2 1782/4885TSHR 3130/4885NPC1 4268/4885
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 SMN1; SMN2 1753/4885TSHR 3275/4885NPC1 4217/4885

“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.