SCHEMBL12486607

SCHEMBL12486607

NCc1ccc(-c2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
LMNA P02545 4/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
P4HTM Q9NXG6 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 6/20 0.52
HTT P42858 5/20 0.52
RAB9A P51151 5/20 0.52
TP53 P04637 4/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL31120747 1.00 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL351473 0.85 LOXL2 (0.46) CCR1CCR5CCR8ADRB2CYP11B1
SCHEMBL7038028 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7035620 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1326112 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30471217 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL149306 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18211344 0.80 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7040410 0.79 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1720975 0.78 CYP11B1 (0.59) SMN1; SMN2NPC1RAB9AHPGDSCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563704-A Tetrahedral cage assembled based on four-hydrogen bond and coordination bond synergistic effect and preparation method thereof 南京工业大学 2019-12-13 CN claimed
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy ECOLE NATIONALE SUPERIEURE DE CHIMIE DE PARIS (FR) 2026-05-26 US disclosed
WO-2023140640-A1 HETEROARYL DERIVATIVE AND USES THEREOF 한양대학교 산학협력단 2023-07-27 WO disclosed
US-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy UNIVERSITY OF ZÜRICH (CH) 2022-09-22 US disclosed
EP-3986904-A1 RUTHENIUM (II) COMPLEXES AND CONJUGATES THEREOF FOR USE AS PHOTOSENSITIZER AGENT IN PHOTODYNAMIC THERAPY Paris Sciences et Lettres (FR) 2022-04-27 EP disclosed
EP-3757111-A1 RUTHENIUM (II) COMPLEXES AND CONJUGATES THEREOF FOR USE AS PHOTOSENSITIZER AGENT IN PHOTODYNAMIC THERAPY Paris Sciences et Lettres - Quartier Latin (FR) 2020-12-30 EP disclosed
WO-2020260424-A1 RUTHENIUM (II) COMPLEXES AND CONJUGATES THEREOF FOR USE AS PHOTOSENSITIZER AGENT IN PHOTODYNAMIC THERAPY PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2020-12-30 WO disclosed
CN-110563704-A Tetrahedral cage assembled based on four-hydrogen bond and coordination bond synergistic effect and preparation method thereof 南京工业大学 2019-12-13 CN disclosed
EP-2634178-B1 QUINAZOLINE DERIVATIVE AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICATION OF TUMOR CELLS AND PREPARATION METHOD THEREOF CHINESE ACAD INST CHEMISTRY (CN) 2016-08-24 EP disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-20140066449-A1 DIPYRIDINIUM DERIVATIVES SABREPHARM LIMITED (GB) 2014-03-06 US disclosed
EP-2680887-A1 DIPYRIDINIUM DERIVATIVES Sabrepharm Limited (GB) 2014-01-08 EP disclosed
EP-2634178-A1 QUINAZOLINE DERIVATIVE AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICATION OF TUMOR CELLS AND PREPARATION METHOD THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-09-04 EP disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 US disclosed
WO-2012117224-A1 DIPYRIDINIUM DERIVATIVES SABREPHARM LIMITED (GB) 2012-09-07 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 (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-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy ANXA5, CD47, SPR KDM4E 4269/4885LMNA 4504/4885CCR1 3484/4885
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy FABP2, APC, TP53 KDM4E 4759/4885LMNA 4746/4885CCR1 1967/4885
US-20140066449-A1 DIPYRIDINIUM DERIVATIVES XDH, MKI67, ZFX KDM4E 2211/4885LMNA 313/4885CCR1 1089/4885
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 KDM4E 1544/4885LMNA 2126/4885CCR1 2770/4885

“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.