Sugi Predict

Sugi Predict / Compounds / SCHEMBL21328451

SCHEMBL21328451

SCHEMBL21328451

CSc1ccc(N(C)c2nc(Cl)nc3cnn(C)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 10/20 1.00
▸ TUBB P07437 10/20 1.00
▸ TUBA3C P0DPH7 10/20 1.00
▸ TUBA1B P68363 10/20 1.00
▸ TUBA4A P68366 10/20 1.00
▸ TUBB4B P68371 10/20 1.00
▸ TUBB3 Q13509 10/20 1.00
▸ TUBB2A Q13885 10/20 1.00
▸ TUBB8 Q3ZCM7 10/20 1.00
▸ TUBA3E Q6PEY2 10/20 1.00
▸ TUBA1A Q71U36 10/20 1.00
▸ TUBA1C Q9BQE3 10/20 1.00
▸ TUBB6 Q9BUF5 10/20 1.00
▸ TUBB2B Q9BVA1 10/20 1.00
▸ TUBB1 Q9H4B7 10/20 1.00
▸ KDR P35968 4/20 0.41
▸ EGFR P00533 3/20 0.41
▸ PDGFRB P09619 3/20 0.41
▸ KIT P10721 1/20 0.31
▸ PDGFRA P16234 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
SCHEMBL21333199 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21328453 0.80 TUBB3 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21328455 0.80 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21328446 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30774342 0.76 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21328457 0.75 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21328447 0.72 TUBB3 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21340917 0.70 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18160920 0.67 KDR (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1609689 0.66 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-08-12 — — US claimed
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-08-13 — — US claimed
WO-2019173500-A1 PYRAZOLO[4,3-d]PYRIMIDINES AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-09-12 — — WO claimed
US-11897886-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2024-02-13 — — US disclosed
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-08-12 — — US disclosed
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-08-12 — — US disclosed
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-12-08 — — US disclosed
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-12-08 — — US disclosed
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-08-13 — — US disclosed
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-08-13 — — US disclosed
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-23 — — US disclosed
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-23 — — US disclosed
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-09-12 — — US disclosed
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-09-12 — — US disclosed
WO-2019173500-A1 PYRAZOLO[4,3-d]PYRIMIDINES AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-09-12 — — 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 (6 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-11897886-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents RB1, RRM2, RRM2B TUBB4A 1575/4885TUBB 988/4885TUBA3C 653/4885
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents RB1, RRM2, RRM2B TUBB4A 1575/4885TUBB 988/4885TUBA3C 653/4885
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B TUBB4A 1575/4885TUBB 988/4885TUBA3C 653/4885
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DPYD, TP53, TYMP TUBB4A 1759/4885TUBB 1755/4885TUBA3C 1050/4885
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DPYD, TP53, TYMP TUBB4A 1759/4885TUBB 1755/4885TUBA3C 1050/4885
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B TUBB4A 1575/4885TUBB 988/4885TUBA3C 653/4885

“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.