Sugi Predict

Sugi Predict / Compounds / SCHEMBL2994650

SCHEMBL2994650

SCHEMBL2994650

N[C@H]1Cc2ccccc2N(Cc2ccc(F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL2994658 1.00 MTNR1A (0.43) MTNR1AMTNR1BDRD2DRD4SLC6A2
SCHEMBL430079 0.88 MTNR1A (0.53) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL31043514 0.88 MTNR1A (0.53) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL649686 0.82 BRD4 (0.42) MTNR1AMTNR1BDRD2DRD4KMT2A
SCHEMBL2510545 0.81 KDM4E (0.40) DRD2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL29505018 0.77 TEAD1 (0.60) DRD2KMT2AMEN1KDM4EGAA
SCHEMBL22719616 0.77 TEAD1 (0.60) DRD2KMT2AMEN1KDM4EGAA
SCHEMBL9621553 0.76 HTT (0.62) KMT2AHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL26620598 0.75 MTNR1A (0.52) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL648876 0.73 DPP4 (0.43) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 — — US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 — — US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 — — US disclosed
WO-2010078430-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — US disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — US disclosed
US-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — 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 (1 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-20100172867-A1 SUBSTITUTED 1H-PYRAZOLO[3,4-D]PYRIMIDINE-6-AMINE COMPOUNDS DPYD, MKI67, TYMP MTNR1A 1366/4885MTNR1B 921/4885DRD2 1522/4885

“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.